sodium 2-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]benzenesulfonate

Systemtic Name: sodium 2-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]benzenesulfonate Openeye Name: sodium 2-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]benzenesulfonate CAS Name: sodium 2-[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]benzenesulfonate IUPAC Name: sodium 2-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]benzenesulfonate Traditional Name: sodium 2-[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]besylate Formula: C17H13N2NaO4S MolecularWeight: 364.35089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CC=C2S(=O)(=O)[O-])C3=CC=CC=C3.[Na+]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=CC=C2S(=O)(=O)[O-])C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C17H14N2O4S.Na/c1-12-15(11-13-7-5-6-10-16(13)24(21,22)23)17(20)19(18-12)14-8-3-2-4-9-14;/h2-11H,1H3,(H,21,22,23);/q;+1/p-1/b15-11-;