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吲哚菁绿（ICG）分子式: C43H47N2NaO6S2 分子量: 774.96IUPAC Name: sodium;4-[(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonateSMILES: CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])C=CC=CC=CC=C4C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+]InChIKey: MOFVSTNWEDAEEK-UHFFFAOYSA-MInChI: InChI=1S/C43H48N2O6S2.Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);/q;+1/p-1
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磺酰荧光素分子式: C19H12O6S 分子量: 368.36IUPAC Name: 1,1-dioxospiro[2,1λ6-benzoxathiole-3,9'-xanthene]-3',6'-diolSMILES: C1=CC=C2C(=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OS2(=O)=OInChIKey: VJYGFSGAAOVTLC-UHFFFAOYSA-NInChI: InChI=1S/C19H12O6S/c20-11-5-7-13-16(9-11)24-17-10-12(21)6-8-14(17)19(13)15-3-1-2-4-18(15)26(22,23)25-19/h1-10,20-21H
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N-(3-马来酰亚胺基丙酰基)生物胞素CAS号 : 102849-12-7 Compound CID : 127195分子式: C23H33N5O7S 分子量: 523.6IUPAC Name: (2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoic acidSMILES: C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCN3C(=O)C=CC3=O)NC(=O)N2InChIKey: KWNGAZCDAJSVLC-OSAWLIQMSA-NInChI: InChI=1S/C23H33N5O7S/c29-17(7-2-1-6-16-21-15(13-36-16)26-23(35)27-21)24-11-4-3-5-14(22(33)34)25-18(30)10-12-28-19(31)8-9-20(28)32/h8-9,14-16,21H,1-7,10-13H2,(H,24,29)(H,25,30)(H,33,34)(H2,26,27,35)/t14-,15-,16-,21-/m0/s1
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植酸 钠盐 水合物CAS号 : 14306-25-3 Compound CID : 66391分子式: C6H6Na12O24P6 分子量: 923.82IUPAC Name: dodecasodium;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphateSMILES: C1(C(C(C(C(C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]InChIKey: KETSPIPODMGOEJ-UHFFFAOYSA-BInChI: InChI=1S/C6H18O24P6.12Na/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;;;;;;;;;;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;;;;;;;/q;12*+1/p-12
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氮杂环丁烷-3-基甲醇CAS号 : 95849-02-8 Compound CID : 13400658分子式: C4H9NO 分子量: 87.12IUPAC Name: azetidin-3-ylmethanolSMILES: C1C(CN1)COInChIKey: GNVWVYIAQBJHGV-UHFFFAOYSA-NInChI: InChI=1S/C4H9NO/c6-3-4-1-5-2-4/h4-6H,1-3H2
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(S)-3-丁烯-1,2-二醇CAS号 : 62214-39-5 Compound CID : 6999958分子式: C4H8O2 分子量: 88.11IUPAC Name: (2S)-but-3-ene-1,2-diolSMILES: C=CC(CO)OInChIKey: ITMIAZBRRZANGB-BYPYZUCNSA-NInChI: InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2/t4-/m0/s1
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9-甲基-9 H -芴-9-羰基- 13C氯化物CAS号 : 1072315-89-9 Compound CID : 60200440分子式: C15H11ClO 分子量: 243.69IUPAC Name: 9-methylfluorene-9-carbonyl chlorideSMILES: CC1(C2=CC=CC=C2C3=CC=CC=C31)C(=O)ClInChIKey: ZQYOOHGEBHBNTP-UJKGMGNHSA-NInChI: InChI=1S/C15H11ClO/c1-15(14(16)17)12-8-4-2-6-10(12)11-7-3-5-9-13(11)15/h2-9H,1H3/i14+1
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5-甲基异噁唑-3-甲酰氯CAS号 : 39499-34-8 Compound CID : 2736894分子式: C5H4ClNO2 分子量: 145.5IUPAC Name: 5-methyl-1,2-oxazole-3-carbonyl chlorideSMILES: CC1=CC(=NO1)C(=O)ClInChIKey: XMVNMWDLOGSUSM-UHFFFAOYSA-NInChI: InChI=1S/C5H4ClNO2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3
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五氟苯基硫代异氰酸酯CAS号 : 35923-79-6 Compound CID : 123452分子式: C7F5NS 分子量: 225.14IUPAC Name: 1,2,3,4,5-pentafluoro-6-isothiocyanatobenzeneSMILES: C(=NC1=C(C(=C(C(=C1F)F)F)F)F)=SInChIKey: NGNKMRBGZPDABE-UHFFFAOYSA-NInChI: InChI=1S/C7F5NS/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10
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4-甲酰基-1H-吡咯-2-羧酸甲酯CAS号 : 40611-79-8 Compound CID : 640310分子式: C7H7NO3 分子量: 153.1IUPAC Name: methyl 4-formyl-1H-pyrrole-2-carboxylateSMILES: COC(=O)C1=CC(=CN1)C=OInChIKey: MIBDQVZPRVDXQP-UHFFFAOYSA-NInChI: InChI=1S/C7H7NO3/c1-11-7(10)6-2-5(4-9)3-8-6/h2-4,8H,1H3
