[(3R,4S)-4-sulfooxyoxan-3-yl] (E)-octadec-9-enoate

Systemtic Name: [(3R,4S)-4-sulfooxyoxan-3-yl] (E)-octadec-9-enoate Openeye Name: [(3R,4S)-4-sulfooxytetrahydropyran-3-yl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [(3R,4S)-4-sulfooxy-3-oxanyl] ester IUPAC Name: [(3R,4S)-4-sulfooxyoxan-3-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [(3R,4S)-4-sulfoxytetrahydropyran-3-yl] ester Formula: C23H42O7S MolecularWeight: 462.64038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1COCCC1OS(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O[C@@H]1COCC[C@@H]1OS(=O)(=O)O

InChI

InChI=1S/C23H42O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(24)29-22-20-28-19-18-21(22)30-31(25,26)27/h9-10,21-22H,2-8,11-20H2,1H3,(H,25,26,27)/b10-9+/t21-,22+/m0/s1