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

Systemtic Name: [(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]heptyl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]heptyl] ester IUPAC Name: [(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]heptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]heptyl] ester Formula: C19H30O5S MolecularWeight: 370.5035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1COC(O1)(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCC[C@@H]([C@@H]1COC(O1)(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H30O5S/c1-5-6-7-8-9-17(18-14-22-19(3,4)23-18)24-25(20,21)16-12-10-15(2)11-13-16/h10-13,17-18H,5-9,14H2,1-4H3/t17-,18-/m0/s1