1-[3-[(2Z)-2-[6-[(4-aminophenyl)carbonylamino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]phenyl]-4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]diazenyl]-5-oxidanylidene-4H-pyrazole-3-carboxylic acid

Systemtic Name: 1-[3-[(2Z)-2-[6-[(4-aminophenyl)carbonylamino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]phenyl]-4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]diazenyl]-5-oxidanylidene-4H-pyrazole-3-carboxylic acid Openeye Name: 1-[3-[(2Z)-2-[6-[(4-aminobenzoyl)amino]-1-oxo-3-sulfo-2-naphthylidene]hydrazino]phenyl]-4-[2-methoxy-4-(3-sulfophenyl)azo-phenyl]azo-5-oxo-4H-pyrazole-3-carboxylic acid CAS Name: 1-[3-[(2Z)-2-[6-[[(4-aminophenyl)-oxomethyl]amino]-1-oxo-3-sulfo-2-naphthalenylidene]hydrazinyl]phenyl]-4-[2-methoxy-4-(3-sulfophenyl)azophenyl]azo-5-oxo-4H-pyrazole-3-carboxylic acid IUPAC Name: 1-[3-[(2Z)-2-[6-[(4-aminobenzoyl)amino]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]phenyl]-4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]diazenyl]-5-oxo-4H-pyrazole-3-carboxylic acid Traditional Name: 1-[3-[(N'Z)-N'-[6-[(4-aminobenzoyl)amino]-1-keto-3-sulfo-2-naphthylidene]hydrazino]phenyl]-5-keto-4-[2-methoxy-4-(3-sulfophenyl)azo-phenyl]azo-2-pyrazoline-3-carboxylic acid Formula: C40H30N10O12S2 MolecularWeight: 906.856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)N=NC3C(=NN(C3=O)C4=CC(=CC=C4)NN=C5C(=CC6=C(C5=O)C=CC(=C6)NC(=O)C7=CC=C(C=C7)N)S(=O)(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)N=NC3C(=NN(C3=O)C4=CC(=CC=C4)N/N=C/5\C(=CC6=C(C5=O)C=CC(=C6)NC(=O)C7=CC=C(C=C7)N)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C40H30N10O12S2/c1-62-32-20-27(44-43-26-5-3-7-29(19-26)63(56,57)58)13-15-31(32)46-48-35-36(40(54)55)49-50(39(35)53)28-6-2-4-25(18-28)45-47-34-33(64(59,60)61)17-22-16-24(12-14-30(22)37(34)51)42-38(52)21-8-10-23(41)11-9-21/h2-20,35,45H,41H2,1H3,(H,42,52)(H,54,55)(H,56,57,58)(H,59,60,61)/b44-43?,47-34+,48-46?