14-[[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]amino]-14-oxidanylidene-tetradecanoic acid

Systemtic Name: 14-[[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]amino]-14-oxidanylidene-tetradecanoic acid Openeye Name: 14-[[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]amino]-14-oxo-tetradecanoic acid CAS Name: 14-[[(E)-1,3-dihydroxyoctadec-4-en-2-yl]amino]-14-oxotetradecanoic acid IUPAC Name: 14-[[(E)-1,3-dihydroxyoctadec-4-en-2-yl]amino]-14-oxotetradecanoic acid Traditional Name: 14-[[(E)-2-hydroxy-1-methylol-heptadec-3-enyl]amino]-14-keto-myristic acid Formula: C32H61NO5 MolecularWeight: 539.83044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CCCCCCCCCCCCC(=O)O)O

InChI

InChI=1S/C32H61NO5/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-30(35)29(28-34)33-31(36)26-23-20-17-14-11-12-15-18-21-24-27-32(37)38/h22,25,29-30,34-35H,2-21,23-24,26-28H2,1H3,(H,33,36)(H,37,38)/b25-22+