[(E)-2-[3,4-bis(oxidanyl)oxolan-2-yl]-1-oxidanyl-icos-11-en-2-yl] prop-2-enoate

Systemtic Name: [(E)-2-[3,4-bis(oxidanyl)oxolan-2-yl]-1-oxidanyl-icos-11-en-2-yl] prop-2-enoate Openeye Name: [(E)-1-(3,4-dihydroxytetrahydrofuran-2-yl)-1-(hydroxymethyl)nonadec-10-enyl] prop-2-enoate CAS Name: 2-propenoic acid [(E)-2-(3,4-dihydroxy-2-oxolanyl)-1-hydroxyeicos-11-en-2-yl] ester IUPAC Name: [(E)-2-(3,4-dihydroxyoxolan-2-yl)-1-hydroxyicos-11-en-2-yl] prop-2-enoate Traditional Name: acrylic acid [(E)-1-(3,4-dihydroxytetrahydrofuran-2-yl)-1-methylol-nonadec-10-enyl] ester Formula: C27H48O6 MolecularWeight: 468.66642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CO)(C1C(C(CO1)O)O)OC(=O)C=C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(CO)(C1C(C(CO1)O)O)OC(=O)C=C

InChI

InChI=1S/C27H48O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(22-28,33-24(30)4-2)26-25(31)23(29)21-32-26/h4,11-12,23,25-26,28-29,31H,2-3,5-10,13-22H2,1H3/b12-11+