2-[2-[3-methyl-1-(2-methyl-4-sulfonato-phenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]-4-sulfonato-benzoate

Systemtic Name: 2-[2-[3-methyl-1-(2-methyl-4-sulfonato-phenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]-4-sulfonato-benzoate Openeye Name: 2-[2-[3-methyl-1-(2-methyl-4-sulfonato-phenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]-4-sulfonato-benzoate CAS Name: 2-[2-[3-methyl-1-(2-methyl-4-sulfonatophenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]-4-sulfonatobenzoate IUPAC Name: 2-[2-[3-methyl-1-(2-methyl-4-sulfonatophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]-4-sulfonatobenzoate Traditional Name: 2-[N'-[5-keto-3-methyl-1-(2-methyl-4-sulfonato-phenyl)-2-pyrazolin-4-ylidene]hydrazino]-4-sulfonato-benzoate Formula: C18H13N4O9S2-3 MolecularWeight: 493.44722

Click to see the large picture

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(=NNC3=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)/p-3