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

Systemtic Name: [(1S,3S)-3-methyl-2-oxidanylidene-3-pentyl-cyclopentyl] 4-methoxybenzenesulfonate Openeye Name: [(1S,3S)-3-methyl-2-oxo-3-pentyl-cyclopentyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [(1S,3S)-3-methyl-2-oxo-3-pentylcyclopentyl] ester IUPAC Name: [(1S,3S)-3-methyl-2-oxo-3-pentylcyclopentyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [(1S,3S)-3-amyl-2-keto-3-methyl-cyclopentyl] ester Formula: C18H26O5S MolecularWeight: 354.46104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O5S/c1-4-5-6-12-18(2)13-11-16(17(18)19)23-24(20,21)15-9-7-14(22-3)8-10-15/h7-10,16H,4-6,11-13H2,1-3H3/t16-,18-/m0/s1