[(2S)-2-[(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-[(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-[(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-[(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propyl] ester IUPAC Name: [(2S)-2-[(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-[(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propyl] ester Formula: C18H28O5S MolecularWeight: 356.47692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COC(OC1C(C)COS(=O)(=O)C2=CC=C(C=C2)C)(C)C

Isomeric SMILES

CC[C@H]1COC(O[C@H]1[C@@H](C)COS(=O)(=O)C2=CC=C(C=C2)C)(C)C

InChI

InChI=1S/C18H28O5S/c1-6-15-12-21-18(4,5)23-17(15)14(3)11-22-24(19,20)16-9-7-13(2)8-10-16/h7-10,14-15,17H,6,11-12H2,1-5H3/t14-,15-,17-/m0/s1