3-(dioctadecylcarbamoyl)-4-(hydroxymethyl)-5-oxidanylidene-hept-6-enoic acid

Systemtic Name: 3-(dioctadecylcarbamoyl)-4-(hydroxymethyl)-5-oxidanylidene-hept-6-enoic acid Openeye Name: 3-(dioctadecylcarbamoyl)-4-(hydroxymethyl)-5-oxo-hept-6-enoic acid CAS Name: 3-[(dioctadecylamino)-oxomethyl]-4-(hydroxymethyl)-5-oxo-6-heptenoic acid IUPAC Name: 3-(dioctadecylcarbamoyl)-4-(hydroxymethyl)-5-oxohept-6-enoic acid Traditional Name: 3-(distearylcarbamoyl)-5-keto-4-methylol-hept-6-enoic acid Formula: C45H85NO5 MolecularWeight: 720.1601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C(CC(=O)O)C(CO)C(=O)C=C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C(CC(=O)O)C(CO)C(=O)C=C

InChI

InChI=1S/C45H85NO5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-46(45(51)41(39-44(49)50)42(40-47)43(48)6-3)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6,41-42,47H,3-5,7-40H2,1-2H3,(H,49,50)