2-[(2E)-2-[3-methyl-1-(2-methyl-4-sulfo-phenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]-4-sulfo-benzoic acid

Systemtic Name: 2-[(2E)-2-[3-methyl-1-(2-methyl-4-sulfo-phenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]-4-sulfo-benzoic acid Openeye Name: 2-[(2E)-2-[3-methyl-1-(2-methyl-4-sulfo-phenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]-4-sulfo-benzoic acid CAS Name: 2-[(2E)-2-[3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]-4-sulfobenzoic acid IUPAC Name: 2-[(2E)-2-[3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]-4-sulfobenzoic acid Traditional Name: 2-[(N'E)-N'-[5-keto-3-methyl-1-(2-methyl-4-sulfo-phenyl)-2-pyrazolin-4-ylidene]hydrazino]-4-sulfo-benzoic acid Formula: C18H16N4O9S2 MolecularWeight: 496.47104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)O)N2C(=O)C(=NNC3=C(C=CC(=C3)S(=O)(=O)O)C(=O)O)C(=N2)C

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)O)N2C(=O)/C(=N/NC3=C(C=CC(=C3)S(=O)(=O)O)C(=O)O)/C(=N2)C

InChI

InChI=1S/C18H16N4O9S2/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25/h3-8,19H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)/b20-16+