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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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