5-(3-oxidanylidene-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)-2-phenoxy-benzenesulfonate

Systemtic Name: 5-(3-oxidanylidene-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)-2-phenoxy-benzenesulfonate Openeye Name: 5-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)-2-phenoxy-benzenesulfonate CAS Name: 5-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)-2-phenoxybenzenesulfonate IUPAC Name: 5-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)-2-phenoxybenzenesulfonate Traditional Name: 5-(3-keto-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)-2-phenoxy-besylate Formula: C18H15N2O5S- MolecularWeight: 371.3871

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NN(C2=O)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)[O-]

Isomeric SMILES

C1CC2=C(C1)NN(C2=O)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)[O-]

InChI

InChI=1S/C18H16N2O5S/c21-18-14-7-4-8-15(14)19-20(18)12-9-10-16(17(11-12)26(22,23)24)25-13-5-2-1-3-6-13/h1-3,5-6,9-11,19H,4,7-8H2,(H,22,23,24)/p-1