2,5-bis[(4-sulfophenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylic acid

Systemtic Name: 2,5-bis[(4-sulfophenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylic acid Openeye Name: 2,5-bis(4-sulfoanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid CAS Name: 2,5-bis(4-sulfoanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid IUPAC Name: 2,5-bis(4-sulfoanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid Traditional Name: 2,5-bis(4-sulfoanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid Formula: C20H18N2O10S2 MolecularWeight: 510.49432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(CC(=C1NC2=CC=C(C=C2)S(=O)(=O)O)C(=O)O)NC3=CC=C(C=C3)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1C(=C(CC(=C1NC2=CC=C(C=C2)S(=O)(=O)O)C(=O)O)NC3=CC=C(C=C3)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C20H18N2O10S2/c23-19(24)15-10-18(22-12-3-7-14(8-4-12)34(30,31)32)16(20(25)26)9-17(15)21-11-1-5-13(6-2-11)33(27,28)29/h1-8,21-22H,9-10H2,(H,23,24)(H,25,26)(H,27,28,29)(H,30,31,32)