2-[[[4-[(E)-2-[4-[2-(2-carboxyphenyl)iminohydrazinyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]amino]diazenyl]benzoic acid; sodium

Systemtic Name: 2-[[[4-[(E)-2-[4-[2-(2-carboxyphenyl)iminohydrazinyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]amino]diazenyl]benzoic acid; sodium Openeye Name: 2-[4-[(E)-2-[4-[2-(2-carboxyphenyl)iminohydrazino]-2-sulfo-phenyl]vinyl]-3-sulfo-anilino]azobenzoic acid; sodium CAS Name: 2-[4-[(E)-2-[4-[2-(2-carboxyphenyl)iminohydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfoanilino]azobenzoic acid; sodium IUPAC Name: 2-[[4-[(E)-2-[4-[2-(2-carboxyphenyl)iminohydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfoanilino]diazenyl]benzoic acid; sodium Traditional Name: 2-[4-[(E)-2-[4-[N'-(2-carboxyphenyl)iminohydrazino]-2-sulfo-phenyl]vinyl]-3-sulfo-anilino]azobenzoic acid; sodium Formula: C28H22N6NaO10S2 MolecularWeight: 689.62825

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)N=NNC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NN=NC4=CC=CC=C4C(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)N=NNC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NN=NC4=CC=CC=C4C(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C28H22N6O10S2.Na/c35-27(36)21-5-1-3-7-23(21)31-33-29-19-13-11-17(25(15-19)45(39,40)41)9-10-18-12-14-20(16-26(18)46(42,43)44)30-34-32-24-8-4-2-6-22(24)28(37)38;/h1-16H,(H,29,31)(H,30,32)(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44);/b10-9+;