(1-methyl-2-oxidanylidene-cycloheptyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (1-methyl-2-oxidanylidene-cycloheptyl)methyl 4-methylbenzenesulfonate Openeye Name: (1-methyl-2-oxo-cycloheptyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-methyl-2-oxocycloheptyl)methyl ester IUPAC Name: (1-methyl-2-oxocycloheptyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-1-methyl-cycloheptyl)methyl ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCCCC2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCCCC2=O)C

InChI

InChI=1S/C16H22O4S/c1-13-7-9-14(10-8-13)21(18,19)20-12-16(2)11-5-3-4-6-15(16)17/h7-10H,3-6,11-12H2,1-2H3