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

Systemtic Name: [(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxidanyl-pent-4-enyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-pent-4-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enyl] ester IUPAC Name: [(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-pent-4-enyl] ester Formula: C17H24O6S MolecularWeight: 356.43386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O6S/c1-5-10-17(18,15-11-21-16(3,4)23-15)12-22-24(19,20)14-8-6-13(2)7-9-14/h5-9,15,18H,1,10-12H2,2-4H3/t15-,17-/m0/s1