4-(3-oxidanylidene-3-undecoxy-2-undecoxycarbonyl-prop-1-enyl)benzoic acid

Systemtic Name: 4-(3-oxidanylidene-3-undecoxy-2-undecoxycarbonyl-prop-1-enyl)benzoic acid Openeye Name: 4-(3-oxo-3-undecoxy-2-undecoxycarbonyl-prop-1-enyl)benzoic acid CAS Name: 4-[3-oxo-2-[oxo(undecoxy)methyl]-3-undecoxyprop-1-enyl]benzoic acid IUPAC Name: 4-(3-oxo-3-undecoxy-2-undecoxycarbonylprop-1-enyl)benzoic acid Traditional Name: 4-(3-keto-3-undecoxy-2-undecoxycarbonyl-prop-1-enyl)benzoic acid Formula: C33H52O6 MolecularWeight: 544.76238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCC

InChI

InChI=1S/C33H52O6/c1-3-5-7-9-11-13-15-17-19-25-38-32(36)30(27-28-21-23-29(24-22-28)31(34)35)33(37)39-26-20-18-16-14-12-10-8-6-4-2/h21-24,27H,3-20,25-26H2,1-2H3,(H,34,35)