[(5,5-dimethyl-2-oxidanylidene-cyclohexyl)-phenyl-methyl] methanesulfonate

Systemtic Name: [(5,5-dimethyl-2-oxidanylidene-cyclohexyl)-phenyl-methyl] methanesulfonate Openeye Name: [(5,5-dimethyl-2-oxo-cyclohexyl)-phenyl-methyl] methanesulfonate CAS Name: methanesulfonic acid [(5,5-dimethyl-2-oxocyclohexyl)-phenylmethyl] ester IUPAC Name: [(5,5-dimethyl-2-oxocyclohexyl)-phenylmethyl] methanesulfonate Traditional Name: methanesulfonic acid [(2-keto-5,5-dimethyl-cyclohexyl)-phenyl-methyl] ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C(C1)C(C2=CC=CC=C2)OS(=O)(=O)C)C

Isomeric SMILES

CC1(CCC(=O)C(C1)C(C2=CC=CC=C2)OS(=O)(=O)C)C

InChI

InChI=1S/C16H22O4S/c1-16(2)10-9-14(17)13(11-16)15(20-21(3,18)19)12-7-5-4-6-8-12/h4-8,13,15H,9-11H2,1-3H3