3-[(1R)-3-oxidanylidenecyclohexyl]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[(1R)-3-oxidanylidenecyclohexyl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[(1R)-3-oxocyclohexyl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[(1R)-3-oxocyclohexyl]propyl ester IUPAC Name: 3-[(1R)-3-oxocyclohexyl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[(1R)-3-ketocyclohexyl]propyl ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2CCCC(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC[C@H]2CCCC(=O)C2

InChI

InChI=1S/C16H22O4S/c1-13-7-9-16(10-8-13)21(18,19)20-11-3-5-14-4-2-6-15(17)12-14/h7-10,14H,2-6,11-12H2,1H3/t14-/m1/s1