7-[[4-[(E)-2-[4-[2-[2-carboxy-4,8-bis(oxidanyl)-2,8-dihydroquinolin-7-yl]hydrazinyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]diazenyl]-4,8-bis(oxidanylidene)quinoline-2-carboxylic acid; sodium

Systemtic Name: 7-[[4-[(E)-2-[4-[2-[2-carboxy-4,8-bis(oxidanyl)-2,8-dihydroquinolin-7-yl]hydrazinyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]diazenyl]-4,8-bis(oxidanylidene)quinoline-2-carboxylic acid; sodium Openeye Name: 7-[4-[(E)-2-[4-[2-(2-carboxy-4,8-dihydroxy-2,8-dihydroquinolin-7-yl)hydrazino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]azo-4,8-dioxo-quinoline-2-carboxylic acid; sodium CAS Name: 7-[4-[(E)-2-[4-[(2-carboxy-4,8-dihydroxy-2,8-dihydroquinolin-7-yl)hydrazo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]azo-4,8-dioxo-2-quinolinecarboxylic acid; sodium IUPAC Name: 7-[[4-[(E)-2-[4-[2-(2-carboxy-4,8-dihydroxy-2,8-dihydroquinolin-7-yl)hydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]-4,8-dioxoquinoline-2-carboxylic acid; sodium Traditional Name: 7-[4-[(E)-2-[4-[N'-(2-carboxy-4,8-dihydroxy-2,8-dihydroquinolin-7-yl)hydrazino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]azo-4,8-diketo-quinaldic acid; sodium Formula: C34H24N6NaO14S2 MolecularWeight: 827.70593

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NNC2=CC=C3C(=CC(N=C3C2O)C(=O)O)O)S(=O)(=O)O)C=CC4=C(C=C(C=C4)N=NC5=CC=C6C(=O)C=C(N=C6C5=O)C(=O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC(=C(C=C1NNC2=CC=C3C(=CC(N=C3C2O)C(=O)O)O)S(=O)(=O)O)/C=C/C4=C(C=C(C=C4)N=NC5=CC=C6C(=O)C=C(N=C6C5=O)C(=O)O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C34H24N6O14S2.Na/c41-25-13-23(33(45)46)35-29-19(25)7-9-21(31(29)43)39-37-17-5-3-15(27(11-17)55(49,50)51)1-2-16-4-6-18(12-28(16)56(52,53)54)38-40-22-10-8-20-26(42)14-24(34(47)48)36-30(20)32(22)44;/h1-14,23,31,37,39,41,43H,(H,45,46)(H,47,48)(H,49,50,51)(H,52,53,54);/b2-1+,40-38?;