(3-oxidanylidene-2-phenyl-2-propanoyl-cyclopentyl) 4-methylbenzenesulfonate

Systemtic Name: (3-oxidanylidene-2-phenyl-2-propanoyl-cyclopentyl) 4-methylbenzenesulfonate Openeye Name: (3-oxo-2-phenyl-2-propanoyl-cyclopentyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-oxo-2-(1-oxopropyl)-2-phenylcyclopentyl] ester IUPAC Name: (3-oxo-2-phenyl-2-propanoylcyclopentyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-keto-2-phenyl-2-propionyl-cyclopentyl) ester Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C(CCC1=O)OS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1(C(CCC1=O)OS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H22O5S/c1-3-18(22)21(16-7-5-4-6-8-16)19(23)13-14-20(21)26-27(24,25)17-11-9-15(2)10-12-17/h4-12,20H,3,13-14H2,1-2H3