1-(3-aminophenyl)-3-[[4-[[4-[[4-[[4-[[1-(3-aminophenyl)-4-carboxylato-5-oxidanyl-pyrazol-3-yl]diazenyl]phenyl]carbonylamino]-3-sulfonato-phenyl]carbamoylamino]-2-sulfonato-phenyl]carbamoyl]phenyl]diazenyl]-5-oxidanyl-pyrazole-4-carboxylate

Systemtic Name: 1-(3-aminophenyl)-3-[[4-[[4-[[4-[[4-[[1-(3-aminophenyl)-4-carboxylato-5-oxidanyl-pyrazol-3-yl]diazenyl]phenyl]carbonylamino]-3-sulfonato-phenyl]carbamoylamino]-2-sulfonato-phenyl]carbamoyl]phenyl]diazenyl]-5-oxidanyl-pyrazole-4-carboxylate Openeye Name: 1-(3-aminophenyl)-3-[4-[[4-[[4-[[4-[1-(3-aminophenyl)-4-carboxylato-5-hydroxy-pyrazol-3-yl]azobenzoyl]amino]-3-sulfonato-phenyl]carbamoylamino]-2-sulfonato-phenyl]carbamoyl]phenyl]azo-5-hydroxy-pyrazole-4-carboxylate CAS Name: 1-(3-aminophenyl)-3-[4-[[4-[[[4-[[[4-[[1-(3-aminophenyl)-4-carboxylato-5-hydroxy-3-pyrazolyl]azo]phenyl]-oxomethyl]amino]-3-sulfonatoanilino]-oxomethyl]amino]-2-sulfonatoanilino]-oxomethyl]phenyl]azo-5-hydroxy-4-pyrazolecarboxylate IUPAC Name: 1-(3-aminophenyl)-3-[[4-[[4-[[4-[[4-[[1-(3-aminophenyl)-4-carboxylato-5-hydroxypyrazol-3-yl]diazenyl]benzoyl]amino]-3-sulfonatophenyl]carbamoylamino]-2-sulfonatophenyl]carbamoyl]phenyl]diazenyl]-5-hydroxypyrazole-4-carboxylate Traditional Name: 1-(3-aminophenyl)-3-[4-[[4-[[4-[[4-[1-(3-aminophenyl)-4-carboxylato-5-hydroxy-pyrazol-3-yl]azobenzoyl]amino]-3-sulfonato-phenyl]carbamoylamino]-2-sulfonato-phenyl]carbamoyl]phenyl]azo-5-hydroxy-pyrazole-4-carboxylate Formula: C47H32N14O15S2-4 MolecularWeight: 1096.97178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)N2C(=C(C(=N2)N=NC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)NC(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=C(C=C6)N=NC7=NN(C(=C7C(=O)[O-])O)C8=CC(=CC=C8)N)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)[O-])O

Isomeric SMILES

C1=CC(=CC(=C1)N)N2C(=C(C(=N2)N=NC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)NC(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=C(C=C6)N=NC7=NN(C(=C7C(=O)[O-])O)C8=CC(=CC=C8)N)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)[O-])O

InChI

InChI=1S/C47H36N14O15S2/c48-25-3-1-5-31(19-25)60-43(64)37(45(66)67)39(58-60)56-54-27-11-7-23(8-12-27)41(62)52-33-17-15-29(21-35(33)77(71,72)73)50-47(70)51-30-16-18-34(36(22-30)78(74,75)76)53-42(63)24-9-13-28(14-10-24)55-57-40-38(46(68)69)44(65)61(59-40)32-6-2-4-26(49)20-32/h1-22,64-65H,48-49H2,(H,52,62)(H,53,63)(H,66,67)(H,68,69)(H2,50,51,70)(H,71,72,73)(H,74,75,76)/p-4