2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethyl ester IUPAC Name: 2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethyl ester Formula: C16H24O5S MolecularWeight: 328.42376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(OC(O1)(C)C)CCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

C[C@@H]1C[C@@H](OC(O1)(C)C)CCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H24O5S/c1-12-5-7-15(8-6-12)22(17,18)19-10-9-14-11-13(2)20-16(3,4)21-14/h5-8,13-14H,9-11H2,1-4H3/t13-,14+/m1/s1