(E)-12-oxidanyl-2-propanoyl-octadec-9-enoic acid

Systemtic Name: (E)-12-oxidanyl-2-propanoyl-octadec-9-enoic acid Openeye Name: (E)-12-hydroxy-2-propanoyl-octadec-9-enoic acid CAS Name: (E)-12-hydroxy-2-(1-oxopropyl)-9-octadecenoic acid IUPAC Name: (E)-12-hydroxy-2-propanoyloctadec-9-enoic acid Traditional Name: (E)-12-hydroxy-2-propionyl-octadec-9-enoic acid Formula: C21H38O4 MolecularWeight: 354.52402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCC(C(=O)CC)C(=O)O)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCC(C(=O)CC)C(=O)O)O

InChI

InChI=1S/C21H38O4/c1-3-5-6-12-15-18(22)16-13-10-8-7-9-11-14-17-19(21(24)25)20(23)4-2/h10,13,18-19,22H,3-9,11-12,14-17H2,1-2H3,(H,24,25)/b13-10+