[(1R,5S)-3,3-dimethyl-4-sulfanylidene-5-bicyclo[3.3.1]nonanyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,5S)-3,3-dimethyl-4-sulfanylidene-5-bicyclo[3.3.1]nonanyl] 4-methylbenzenesulfonate Openeye Name: [(1R,5S)-3,3-dimethyl-4-thioxo-5-bicyclo[3.3.1]nonanyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,5S)-3,3-dimethyl-4-sulfanylidene-5-bicyclo[3.3.1]nonanyl] ester IUPAC Name: [(1R,5S)-3,3-dimethyl-4-sulfanylidene-5-bicyclo[3.3.1]nonanyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,5S)-3,3-dimethyl-4-thioxo-5-bicyclo[3.3.1]nonanyl] ester Formula: C18H24O3S2 MolecularWeight: 352.51136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC23CCCC(C2)CC(C3=S)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@]23CCC[C@@H](C2)CC(C3=S)(C)C

InChI

InChI=1S/C18H24O3S2/c1-13-6-8-15(9-7-13)23(19,20)21-18-10-4-5-14(12-18)11-17(2,3)16(18)22/h6-9,14H,4-5,10-12H2,1-3H3/t14-,18+/m1/s1