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

Systemtic Name: 2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxidanylidene-2-phenyl-imidazol-1-yl]-4-sulfo-benzoic acid Openeye Name: 2-[(4Z)-4-(2-furylmethylene)-5-oxo-2-phenyl-imidazol-1-yl]-4-sulfo-benzoic acid CAS Name: 2-[(4Z)-4-(2-furanylmethylidene)-5-oxo-2-phenyl-1-imidazolyl]-4-sulfobenzoic acid IUPAC Name: 2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-4-sulfobenzoic acid Traditional Name: 2-[(4Z)-4-(2-furfurylidene)-5-keto-2-phenyl-2-imidazolin-1-yl]-4-sulfo-benzoic acid Formula: C21H14N2O7S MolecularWeight: 438.41006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CC3=CC=CO3)C(=O)N2C4=C(C=CC(=C4)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=N/C(=C\C3=CC=CO3)/C(=O)N2C4=C(C=CC(=C4)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C21H14N2O7S/c24-20-17(11-14-7-4-10-30-14)22-19(13-5-2-1-3-6-13)23(20)18-12-15(31(27,28)29)8-9-16(18)21(25)26/h1-12H,(H,25,26)(H,27,28,29)/b17-11-