2-[2-[4-[(E)-2-[4-[2-[2-carboxy-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]hydrazinyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]hydrazinyl]-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 2-[2-[4-[(E)-2-[4-[2-[2-carboxy-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]hydrazinyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]hydrazinyl]-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 2-[2-[4-[(E)-2-[4-[2-(2-carboxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)hydrazino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]hydrazino]-3,6-dioxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 2-[[4-[(E)-2-[4-[(2-carboxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)hydrazo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]hydrazo]-3,6-dioxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 2-[2-[4-[(E)-2-[4-[2-(2-carboxy-3,6-dioxocyclohexa-1,4-dien-1-yl)hydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]hydrazinyl]-3,6-dioxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 2-[N'-[4-[(E)-2-[4-[N'-(2-carboxy-3,6-diketo-cyclohexa-1,4-dien-1-yl)hydrazino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]hydrazino]-3,6-diketo-cyclohexa-1,4-diene-1-carboxylic acid Formula: C28H20N4O14S2 MolecularWeight: 700.6068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NNC2=C(C(=O)C=CC2=O)C(=O)O)S(=O)(=O)O)C=CC3=C(C=C(C=C3)NNC4=C(C(=O)C=CC4=O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NNC2=C(C(=O)C=CC2=O)C(=O)O)S(=O)(=O)O)/C=C/C3=C(C=C(C=C3)NNC4=C(C(=O)C=CC4=O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H20N4O14S2/c33-17-7-9-19(35)25(23(17)27(37)38)31-29-15-5-3-13(21(11-15)47(41,42)43)1-2-14-4-6-16(12-22(14)48(44,45)46)30-32-26-20(36)10-8-18(34)24(26)28(39)40/h1-12,29-32H,(H,37,38)(H,39,40)(H,41,42,43)(H,44,45,46)/b2-1+