[(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]heptadec-4-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]heptadec-4-enyl] 4-methylbenzenesulfonate Openeye Name: [(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]heptadec-4-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]heptadec-4-enyl] ester IUPAC Name: [(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]heptadec-4-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]heptadec-4-enyl] ester Formula: C29H48O5S MolecularWeight: 508.75342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CCCC(C1COC(O1)(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C29H48O5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(28-24-32-29(3,4)33-28)34-35(30,31)26-22-20-25(2)21-23-26/h16-17,20-23,27-28H,5-15,18-19,24H2,1-4H3/b17-16+/t27-,28+/m0/s1