3-[1-(3-oxidanylidenebutyl)cyclohexyl]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[1-(3-oxidanylidenebutyl)cyclohexyl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[1-(3-oxobutyl)cyclohexyl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[1-(3-oxobutyl)cyclohexyl]propyl ester IUPAC Name: 3-[1-(3-oxobutyl)cyclohexyl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[1-(3-ketobutyl)cyclohexyl]propyl ester Formula: C20H30O4S MolecularWeight: 366.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2(CCCCC2)CCC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2(CCCCC2)CCC(=O)C

InChI

InChI=1S/C20H30O4S/c1-17-7-9-19(10-8-17)25(22,23)24-16-6-14-20(15-11-18(2)21)12-4-3-5-13-20/h7-10H,3-6,11-16H2,1-2H3