(5Z,8R,9E,12S)-8-ethanoyl-9-methanoyl-12-oxidanyl-heptadeca-5,9-dienoic acid

Systemtic Name: (5Z,8R,9E,12S)-8-ethanoyl-9-methanoyl-12-oxidanyl-heptadeca-5,9-dienoic acid Openeye Name: (5Z,8R,9E,12S)-8-acetyl-9-formyl-12-hydroxy-heptadeca-5,9-dienoic acid CAS Name: (5Z,8R,9E,12S)-8-acetyl-9-formyl-12-hydroxyheptadeca-5,9-dienoic acid IUPAC Name: (5Z,8R,9E,12S)-8-acetyl-9-formyl-12-hydroxyheptadeca-5,9-dienoic acid Traditional Name: (5Z,8R,9E,12S)-8-acetyl-9-formyl-12-hydroxy-heptadeca-5,9-dienoic acid Formula: C20H32O5 MolecularWeight: 352.46508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC=C(C=O)C(CC=CCCCC(=O)O)C(=O)C)O

Isomeric SMILES

CCCCC[C@@H](C/C=C(/C=O)\[C@@H](C/C=C\CCCC(=O)O)C(=O)C)O

InChI

InChI=1S/C20H32O5/c1-3-4-7-10-18(23)14-13-17(15-21)19(16(2)22)11-8-5-6-9-12-20(24)25/h5,8,13,15,18-19,23H,3-4,6-7,9-12,14H2,1-2H3,(H,24,25)/b8-5-,17-13-/t18-,19-/m0/s1