[(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxidanyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxidanyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl] ester IUPAC Name: [(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-ethyl] ester Formula: C14H20O6S MolecularWeight: 316.37

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2COC(O2)(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]([C@H]2COC(O2)(C)C)O

InChI

InChI=1S/C14H20O6S/c1-10-4-6-11(7-5-10)21(16,17)19-8-12(15)13-9-18-14(2,3)20-13/h4-7,12-13,15H,8-9H2,1-3H3/t12-,13+/m0/s1