2-[(4Z)-5-oxidanylidene-2-phenyl-4-(phenylmethylidene)imidazol-1-yl]-4-sulfo-benzoic acid

Systemtic Name: 2-[(4Z)-5-oxidanylidene-2-phenyl-4-(phenylmethylidene)imidazol-1-yl]-4-sulfo-benzoic acid Openeye Name: 2-[(4Z)-4-benzylidene-5-oxo-2-phenyl-imidazol-1-yl]-4-sulfo-benzoic acid CAS Name: 2-[(4Z)-5-oxo-2-phenyl-4-(phenylmethylene)-1-imidazolyl]-4-sulfobenzoic acid IUPAC Name: 2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-4-sulfobenzoic acid Traditional Name: 2-[(4Z)-4-benzal-5-keto-2-phenyl-2-imidazolin-1-yl]-4-sulfo-benzoic acid Formula: C23H16N2O6S MolecularWeight: 448.44794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C23H16N2O6S/c26-22-19(13-15-7-3-1-4-8-15)24-21(16-9-5-2-6-10-16)25(22)20-14-17(32(29,30)31)11-12-18(20)23(27)28/h1-14H,(H,27,28)(H,29,30,31)/b19-13-