[(E)-1-[5,5-bis(hydroxymethyl)-2-oxidanylidene-oxolan-3-yl]octadec-9-enyl] methanesulfonate

Systemtic Name: [(E)-1-[5,5-bis(hydroxymethyl)-2-oxidanylidene-oxolan-3-yl]octadec-9-enyl] methanesulfonate Openeye Name: [(E)-1-[5,5-bis(hydroxymethyl)-2-oxo-tetrahydrofuran-3-yl]octadec-9-enyl] methanesulfonate CAS Name: methanesulfonic acid [(E)-1-[5,5-bis(hydroxymethyl)-2-oxo-3-oxolanyl]octadec-9-enyl] ester IUPAC Name: [(E)-1-[5,5-bis(hydroxymethyl)-2-oxooxolan-3-yl]octadec-9-enyl] methanesulfonate Traditional Name: methanesulfonic acid [(E)-1-(2-keto-5,5-dimethylol-tetrahydrofuran-3-yl)octadec-9-enyl] ester Formula: C25H46O7S MolecularWeight: 490.69354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(C1CC(OC1=O)(CO)CO)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(C1CC(OC1=O)(CO)CO)OS(=O)(=O)C

InChI

InChI=1S/C25H46O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(32-33(2,29)30)22-19-25(20-26,21-27)31-24(22)28/h10-11,22-23,26-27H,3-9,12-21H2,1-2H3/b11-10+