2-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]-5-[[4-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]-3-sulfo-phenyl]carbamoylamino]benzoic acid

Systemtic Name: 2-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]-5-[[4-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]-3-sulfo-phenyl]carbamoylamino]benzoic acid Openeye Name: 2-[2-(2-imino-8-oxo-6-sulfo-1-naphthyl)hydrazino]-5-[[4-[2-(2-imino-8-oxo-6-sulfo-1-naphthyl)hydrazino]-3-sulfo-phenyl]carbamoylamino]benzoic acid CAS Name: 2-[(2-imino-8-oxo-6-sulfo-1-naphthalenyl)hydrazo]-5-[[[4-[(2-imino-8-oxo-6-sulfo-1-naphthalenyl)hydrazo]-3-sulfoanilino]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[2-(2-imino-8-oxo-6-sulfonaphthalen-1-yl)hydrazinyl]-5-[[4-[2-(2-imino-8-oxo-6-sulfonaphthalen-1-yl)hydrazinyl]-3-sulfophenyl]carbamoylamino]benzoic acid Traditional Name: 2-[N'-(2-imino-8-keto-6-sulfo-1-naphthyl)hydrazino]-5-[[4-[N'-(2-imino-8-keto-6-sulfo-1-naphthyl)hydrazino]-3-sulfo-phenyl]carbamoylamino]benzoic acid Formula: C34H26N8O14S3 MolecularWeight: 866.81044

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

Isomeric SMILES

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

InChI

InChI=1S/C34H26N8O14S3/c35-22-5-1-15-9-19(57(48,49)50)13-26(43)29(15)31(22)41-39-24-7-3-17(11-21(24)33(45)46)37-34(47)38-18-4-8-25(28(12-18)59(54,55)56)40-42-32-23(36)6-2-16-10-20(58(51,52)53)14-27(44)30(16)32/h1-14,35-36,39-42H,(H,45,46)(H2,37,38,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)