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酸性绿1CAS号 : 19381-50-1 Compound CID : 14598749分子式: C30H15FeN3Na3O15S3 分子量: 878.46IUPAC Name: trisodium;6-hydroxy-5-nitrosonaphthalene-2-sulfonate;ironSMILES: C1=CC2=C(C=CC(=C2N=O)O)C=C1S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=O)O)C=C1S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=O)O)C=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Fe]InChIKey: VLBLPLXOYXEXJK-UHFFFAOYSA-KInChI: InChI=1S/3C10H7NO5S.Fe.3Na/c3*12-9-4-1-6-5-7(17(14,15)16)2-3-8(6)10(9)11-13;;;;/h3*1-5,12H,(H,14,15,16);;;;/q;;;;3*+1/p-3
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恶草酮CAS号 : 19666-30-9 Compound CID : 29732分子式: C15H18Cl2N2O3 分子量: 345.22IUPAC Name: 5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-oneSMILES: CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)ClInChIKey: CHNUNORXWHYHNE-UHFFFAOYSA-NInChI: InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3
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丙草胺CAS号 : 51218-49-6 Compound CID : 91644分子式: C17H26ClNO2 分子量: 311.85IUPAC Name: 2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamideSMILES: CCCOCCN(C1=C(C=CC=C1CC)CC)C(=O)CClInChIKey: YLPGTOIOYRQOHV-UHFFFAOYSA-NInChI: InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3
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甜菊苷CAS号 : 57817-89-7 Compound CID : 442089分子式: C38H60O18 分子量: 804.88IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylateSMILES: CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)OInChIKey: UEDUENGHJMELGK-HYDKPPNVSA-NInChI: InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1
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磺草酮CAS号 : 99105-77-8 Compound CID : 91760分子式: C14H13ClO5S 分子量: 328.77IUPAC Name: 2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dioneSMILES: CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)ClInChIKey: PQTBTIFWAXVEPB-UHFFFAOYSA-NInChI: InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
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烯效唑CAS号 : 83657-22-1 Compound CID : 6436604分子式: C15H18ClN3O 分子量: 291.78IUPAC Name: (E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-olSMILES: CC(C)(C)C(C(=CC1=CC=C(C=C1)Cl)N2C=NC=N2)OInChIKey: YNWVFADWVLCOPU-MDWZMJQESA-NInChI: InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+
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氟喹唑CAS号 : 136426-54-5 Compound CID : 86417分子式: C16H8Cl2FN5O 分子量: 376.17IUPAC Name: 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-oneSMILES: C1=CC2=C(C=C1F)C(=O)N(C(=N2)N3C=NC=N3)C4=C(C=C(C=C4)Cl)ClInChIKey: IJJVMEJXYNJXOJ-UHFFFAOYSA-NInChI: InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H
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4-(4-硝基苯基偶氮)苔黑酚分子式: C13H11N3O4 分子量: 273.25IUPAC Name: 5-methyl-4-[(4-nitrophenyl)diazenyl]benzene-1,3-diolSMILES: CC1=CC(=CC(=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])O)OInChIKey: XDOOUKIUNUWEFT-UHFFFAOYSA-NInChI: InChI=1S/C13H11N3O4/c1-8-6-11(17)7-12(18)13(8)15-14-9-2-4-10(5-3-9)16(19)20/h2-7,17-18H,1H3
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N-(2-氨乙基)-2-硝基苯磺酰胺盐酸盐CAS号 : 92504-03-5 Compound CID : 53384390分子式: C8H11N3O4S·HCl 分子量: 281.71IUPAC Name: N-(2-aminoethyl)-2-nitrobenzenesulfonamide;hydrochlorideSMILES: C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCN.ClInChIKey: ZEWOSYWRSUZSQX-UHFFFAOYSA-NInChI: InChI=1S/C8H11N3O4S.ClH/c9-5-6-10-16(14,15)8-4-2-1-3-7(8)11(12)13;/h1-4,10H,5-6,9H2;1H
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3',3'',5',5''-四碘酚磺酞分子式: C19H10I4O5S 分子量: 857.96IUPAC Name: 4-[3-(4-hydroxy-3,5-diiodophenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2,6-diiodophenolSMILES: C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C(=C3)I)O)I)C4=CC(=C(C(=C4)I)O)IInChIKey: RXNYILISXGUYFG-UHFFFAOYSA-NInChI: InChI=1S/C19H10I4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H
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四硝基苯酚磺酞CAS号 : 57564-54-2 Compound CID : 6453505分子式: C19H10N4O13S 分子量: 534.36IUPAC Name: 4-[3-(4-hydroxy-3,5-dinitrophenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2,6-dinitrophenolSMILES: C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-])C4=CC(=C(C(=C4)[N+](=O)[O-])O)[N+](=O)[O-]InChIKey: WFYIJZCRINGEDV-UHFFFAOYSA-NInChI: InChI=1S/C19H10N4O13S/c24-17-12(20(26)27)5-9(6-13(17)21(28)29)19(11-3-1-2-4-16(11)37(34,35)36-19)10-7-14(22(30)31)18(25)15(8-10)23(32)33/h1-8,24-25H
