2-[(E)-12-acetyloxyoctadec-9-enoyl]oxyethanoic acid

Systemtic Name: 2-[(E)-12-acetyloxyoctadec-9-enoyl]oxyethanoic acid Openeye Name: 2-[(E)-12-acetoxyoctadec-9-enoyl]oxyacetic acid CAS Name: 2-[(E)-12-acetyloxy-1-oxooctadec-9-enoxy]acetic acid IUPAC Name: 2-[(E)-12-acetyloxyoctadec-9-enoyl]oxyacetic acid Traditional Name: 2-[(E)-12-acetoxyoctadec-9-enoyl]oxyacetic acid Formula: C22H38O6 MolecularWeight: 398.53352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OCC(=O)O)OC(=O)C

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OCC(=O)O)OC(=O)C

InChI

InChI=1S/C22H38O6/c1-3-4-5-12-15-20(28-19(2)23)16-13-10-8-6-7-9-11-14-17-22(26)27-18-21(24)25/h10,13,20H,3-9,11-12,14-18H2,1-2H3,(H,24,25)/b13-10+