(Z,11R)-11-(4-oxidanyl-4-oxidanylidene-2-sulfinooxy-butanoyl)oxyoctadec-9-enoic acid

Systemtic Name: (Z,11R)-11-(4-oxidanyl-4-oxidanylidene-2-sulfinooxy-butanoyl)oxyoctadec-9-enoic acid Openeye Name: (Z,11R)-11-(4-hydroxy-4-oxo-2-sulfinooxy-butanoyl)oxyoctadec-9-enoic acid CAS Name: (Z,11R)-11-(4-hydroxy-1,4-dioxo-2-sulfinooxybutoxy)-9-octadecenoic acid IUPAC Name: (Z,11R)-11-(4-hydroxy-4-oxo-2-sulfinooxybutanoyl)oxyoctadec-9-enoic acid Traditional Name: (Z,11R)-11-(4-hydroxy-4-keto-2-sulfinooxy-butanoyl)oxyoctadec-9-enoic acid Formula: C22H38O9S MolecularWeight: 478.59672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C=CCCCCCCCC(=O)O)OC(=O)C(CC(=O)O)OS(=O)O

Isomeric SMILES

CCCCCCC[C@H](/C=C\CCCCCCCC(=O)O)OC(=O)C(CC(=O)O)OS(=O)O

InChI

InChI=1S/C22H38O9S/c1-2-3-4-8-11-14-18(15-12-9-6-5-7-10-13-16-20(23)24)30-22(27)19(17-21(25)26)31-32(28)29/h12,15,18-19H,2-11,13-14,16-17H2,1H3,(H,23,24)(H,25,26)(H,28,29)/b15-12-/t18-,19?/m1/s1