[2-oxidanylidene-1-(phenylmethoxymethyl)cyclohexyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-oxidanylidene-1-(phenylmethoxymethyl)cyclohexyl]methyl 4-methylbenzenesulfonate Openeye Name: [1-(benzyloxymethyl)-2-oxo-cyclohexyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-oxo-1-(phenylmethoxymethyl)cyclohexyl]methyl ester IUPAC Name: [2-oxo-1-(phenylmethoxymethyl)cyclohexyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(benzoxymethyl)-2-keto-cyclohexyl]methyl ester Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCCC2=O)COCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCCC2=O)COCC3=CC=CC=C3

InChI

InChI=1S/C22H26O5S/c1-18-10-12-20(13-11-18)28(24,25)27-17-22(14-6-5-9-21(22)23)16-26-15-19-7-3-2-4-8-19/h2-4,7-8,10-13H,5-6,9,14-17H2,1H3