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酸性紫 17分子式: C41H44N3NaO6S2 分子量: 761.92IUPAC Name: sodium;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonateSMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC3=CC(=CC=C3)S(=O)(=O)[O-])C=C2)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-].[Na+]InChIKey: FJBHGWADYLMEJG-UHFFFAOYSA-MInChI: InChI=1S/C41H45N3O6S2.Na/c1-5-42(6-2)36-21-15-33(16-22-36)41(34-17-23-37(24-18-34)43(7-3)29-31-11-9-13-39(27-31)51(45,46)47)35-19-25-38(26-20-35)44(8-4)30-32-12-10-14-40(28-32)52(48,49)50;/h9-28H,5-8,29-30H2,1-4H3,(H-,45,46,47,48,49,50);/q;+1/p-1
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1-氨基-8-萘酚-2,4-二磺酸一钠盐水合物CAS号 : 52789-62-5 Compound CID : 60161115分子式: C10H8NNaO7S2·xH2O 分子量: 341.28IUPAC Name: sodium;4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonateSMILES: C1=CC2=C(C(=C1)O)C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)O)N.[Na+]InChIKey: JOVLEOXYYWEEEW-UHFFFAOYSA-MInChI: InChI=1S/C10H9NO7S2.Na/c11-10-8(20(16,17)18)4-7(19(13,14)15)5-2-1-3-6(12)9(5)10;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-1
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N,N,N'N'-四(2-羟乙基)乙二胺分子式: C10H24N2O4 分子量: 236.31IUPAC Name: 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanolSMILES: C(CN(CCO)CCO)N(CCO)CCOInChIKey: BYACHAOCSIPLCM-UHFFFAOYSA-NInChI: InChI=1S/C10H24N2O4/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16/h13-16H,1-10H2
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（+）顺式，反式-脱落酸-d6CAS号 : 721948-65-8 Compound CID : 46779839分子式: C15H14D6O4 分子量: 270.35IUPAC Name: (2Z,4E)-3-methyl-5-[(1S)-3,5,5-trideuterio-1-hydroxy-6,6-dimethyl-4-oxo-2-(trideuteriomethyl)cyclohex-2-en-1-yl]penta-2,4-dienoic acidSMILES: [2H]C1=C(C([2H])([2H])[2H])[C@](O)(\C=C\C(=C/C(=O)O)\C)C(C)(C)C([2H])([2H])C1=OInChIKey: JLIDBLDQVAYHNE-CKOUZVSSSA-NInChI: InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1/i2D3,8D,9D2
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3-(丙-2-炔-1-基氧基)丙-1，2-二醇CAS号 : 13580-38-6 Compound CID : 99775IUPAC Name: 3-prop-2-ynoxypropane-1,2-diolSMILES: C#CCOCC(CO)OInChIKey: WZGADLPIFFITSG-UHFFFAOYSA-NInChI: InChI=1S/C6H10O3/c1-2-3-9-5-6(8)4-7/h1,6-8H,3-5H2
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胭脂虫(洋)红IUPAC Name: 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acidSMILES: CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)C4C(C(C(C(O4)CO)O)O)O)OInChIKey: DGQLVPJVXFOQEV-UHFFFAOYSA-NInChI: InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)
