[(1R,3S)-3-methyl-2-oxidanylidene-3-pentyl-cyclopentyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,3S)-3-methyl-2-oxidanylidene-3-pentyl-cyclopentyl] 4-methylbenzenesulfonate Openeye Name: [(1R,3S)-3-methyl-2-oxo-3-pentyl-cyclopentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,3S)-3-methyl-2-oxo-3-pentylcyclopentyl] ester IUPAC Name: [(1R,3S)-3-methyl-2-oxo-3-pentylcyclopentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,3S)-3-amyl-2-keto-3-methyl-cyclopentyl] ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O4S/c1-4-5-6-12-18(3)13-11-16(17(18)19)22-23(20,21)15-9-7-14(2)8-10-15/h7-10,16H,4-6,11-13H2,1-3H3/t16-,18+/m1/s1