2-[(4Z)-4-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-5-oxidanylidene-2-phenyl-imidazol-1-yl]naphthalene-1,5-disulfonic acid

Systemtic Name: 2-[(4Z)-4-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-5-oxidanylidene-2-phenyl-imidazol-1-yl]naphthalene-1,5-disulfonic acid Openeye Name: 2-[(4Z)-4-[(4-hydroxy-3-methoxy-phenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]naphthalene-1,5-disulfonic acid CAS Name: 2-[(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-2-phenyl-1-imidazolyl]naphthalene-1,5-disulfonic acid IUPAC Name: 2-[(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]naphthalene-1,5-disulfonic acid Traditional Name: 2-[(4Z)-5-keto-2-phenyl-4-vanillylidene-2-imidazolin-1-yl]naphthalene-1,5-disulfonic acid Formula: C27H20N2O9S2 MolecularWeight: 580.5857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C5=C(C=C4)C(=CC=C5)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C5=C(C=C4)C(=CC=C5)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C27H20N2O9S2/c1-38-23-15-16(10-13-22(23)30)14-20-27(31)29(26(28-20)17-6-3-2-4-7-17)21-12-11-18-19(25(21)40(35,36)37)8-5-9-24(18)39(32,33)34/h2-15,30H,1H3,(H,32,33,34)(H,35,36,37)/b20-14-