[(1S,3S)-3-methyl-2-oxidanylidene-3-pentyl-cyclopentyl] benzenesulfonate

Systemtic Name: [(1S,3S)-3-methyl-2-oxidanylidene-3-pentyl-cyclopentyl] benzenesulfonate Openeye Name: [(1S,3S)-3-methyl-2-oxo-3-pentyl-cyclopentyl] benzenesulfonate CAS Name: benzenesulfonic acid [(1S,3S)-3-methyl-2-oxo-3-pentylcyclopentyl] ester IUPAC Name: [(1S,3S)-3-methyl-2-oxo-3-pentylcyclopentyl] benzenesulfonate Traditional Name: benzenesulfonic acid [(1S,3S)-3-amyl-2-keto-3-methyl-cyclopentyl] ester Formula: C17H24O4S MolecularWeight: 324.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(C1=O)OS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCC[C@]1(CC[C@@H](C1=O)OS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C17H24O4S/c1-3-4-8-12-17(2)13-11-15(16(17)18)21-22(19,20)14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3/t15-,17-/m0/s1