(1,2-dicyclohexyl-2-oxidanylidene-ethyl) 4-methylbenzenesulfonate

Systemtic Name: (1,2-dicyclohexyl-2-oxidanylidene-ethyl) 4-methylbenzenesulfonate Openeye Name: (1,2-dicyclohexyl-2-oxo-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,2-dicyclohexyl-2-oxoethyl) ester IUPAC Name: (1,2-dicyclohexyl-2-oxoethyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1,2-dicyclohexyl-2-keto-ethyl) ester Formula: C21H30O4S MolecularWeight: 378.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2CCCCC2)C(=O)C3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2CCCCC2)C(=O)C3CCCCC3

InChI

InChI=1S/C21H30O4S/c1-16-12-14-19(15-13-16)26(23,24)25-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h12-15,17-18,21H,2-11H2,1H3