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

Systemtic Name: [(2S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxidanyl-butyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybutyl] ester IUPAC Name: [(2S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-butyl] ester Formula: C16H24O6S MolecularWeight: 344.42316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC2COC(O2)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C16H24O6S/c1-12-4-8-15(9-5-12)23(18,19)21-10-13(17)6-7-14-11-20-16(2,3)22-14/h4-5,8-9,13-14,17H,6-7,10-11H2,1-3H3/t13-,14-/m0/s1