(6,6-dimethyl-2-oxidanylidene-oxan-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (6,6-dimethyl-2-oxidanylidene-oxan-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (6,6-dimethyl-2-oxo-tetrahydropyran-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6,6-dimethyl-2-oxo-3-oxanyl)methyl ester IUPAC Name: (6,6-dimethyl-2-oxooxan-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-6,6-dimethyl-tetrahydropyran-3-yl)methyl ester Formula: C15H20O5S MolecularWeight: 312.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(OC2=O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(OC2=O)(C)C

InChI

InChI=1S/C15H20O5S/c1-11-4-6-13(7-5-11)21(17,18)19-10-12-8-9-15(2,3)20-14(12)16/h4-7,12H,8-10H2,1-3H3