4-(3-oxidanylidene-3-tetradecoxy-2-tetradecoxycarbonyl-prop-1-enyl)benzoic acid

Systemtic Name: 4-(3-oxidanylidene-3-tetradecoxy-2-tetradecoxycarbonyl-prop-1-enyl)benzoic acid Openeye Name: 4-(3-oxo-3-tetradecoxy-2-tetradecoxycarbonyl-prop-1-enyl)benzoic acid CAS Name: 4-[3-oxo-2-[oxo(tetradecoxy)methyl]-3-tetradecoxyprop-1-enyl]benzoic acid IUPAC Name: 4-(3-oxo-3-tetradecoxy-2-tetradecoxycarbonylprop-1-enyl)benzoic acid Traditional Name: 4-(3-keto-3-myristyloxy-2-myristyloxycarbonyl-prop-1-enyl)benzoic acid Formula: C39H64O6 MolecularWeight: 628.92186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCCCCC

InChI

InChI=1S/C39H64O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-44-38(42)36(33-34-27-29-35(30-28-34)37(40)41)39(43)45-32-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-30,33H,3-26,31-32H2,1-2H3,(H,40,41)