2-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]-4-[[3-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]-4-carboxy-phenyl]carbamoylamino]benzoic acid

Systemtic Name: 2-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]-4-[[3-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]-4-carboxy-phenyl]carbamoylamino]benzoic acid Openeye Name: 4-[[4-carboxy-3-[2-(2-imino-8-oxo-6-sulfo-1-naphthyl)hydrazino]phenyl]carbamoylamino]-2-[2-(2-imino-8-oxo-6-sulfo-1-naphthyl)hydrazino]benzoic acid CAS Name: 4-[[[4-carboxy-3-[(2-imino-8-oxo-6-sulfo-1-naphthalenyl)hydrazo]anilino]-oxomethyl]amino]-2-[(2-imino-8-oxo-6-sulfo-1-naphthalenyl)hydrazo]benzoic acid IUPAC Name: 4-[[4-carboxy-3-[2-(2-imino-8-oxo-6-sulfonaphthalen-1-yl)hydrazinyl]phenyl]carbamoylamino]-2-[2-(2-imino-8-oxo-6-sulfonaphthalen-1-yl)hydrazinyl]benzoic acid Traditional Name: 4-[[4-carboxy-3-[N'-(2-imino-8-keto-6-sulfo-1-naphthyl)hydrazino]phenyl]carbamoylamino]-2-[N'-(2-imino-8-keto-6-sulfo-1-naphthyl)hydrazino]benzoic acid Formula: C35H26N8O13S2 MolecularWeight: 830.75674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=N)C(=C2C1=CC(=CC2=O)S(=O)(=O)O)NNC3=C(C=CC(=C3)NC(=O)NC4=CC(=C(C=C4)C(=O)O)NNC5=C6C(=CC(=CC6=O)S(=O)(=O)O)C=CC5=N)C(=O)O

Isomeric SMILES

C1=CC(=N)C(=C2C1=CC(=CC2=O)S(=O)(=O)O)NNC3=C(C=CC(=C3)NC(=O)NC4=CC(=C(C=C4)C(=O)O)NNC5=C6C(=CC(=CC6=O)S(=O)(=O)O)C=CC5=N)C(=O)O

InChI

InChI=1S/C35H26N8O13S2/c36-23-7-1-15-9-19(57(51,52)53)13-27(44)29(15)31(23)42-40-25-11-17(3-5-21(25)33(46)47)38-35(50)39-18-4-6-22(34(48)49)26(12-18)41-43-32-24(37)8-2-16-10-20(58(54,55)56)14-28(45)30(16)32/h1-14,36-37,40-43H,(H,46,47)(H,48,49)(H2,38,39,50)(H,51,52,53)(H,54,55,56)