4-(3-docosoxy-2-docosoxycarbonyl-3-oxidanylidene-prop-1-enyl)benzoic acid

Systemtic Name: 4-(3-docosoxy-2-docosoxycarbonyl-3-oxidanylidene-prop-1-enyl)benzoic acid Openeye Name: 4-(3-docosoxy-2-docosoxycarbonyl-3-oxo-prop-1-enyl)benzoic acid CAS Name: 4-[3-docosoxy-2-[docosoxy(oxo)methyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-(3-docosoxy-2-docosoxycarbonyl-3-oxoprop-1-enyl)benzoic acid Traditional Name: 4-(3-behenyloxy-2-behenyloxycarbonyl-3-keto-prop-1-enyl)benzoic acid Formula: C55H96O6 MolecularWeight: 853.34714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C55H96O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47-60-54(58)52(49-50-43-45-51(46-44-50)53(56)57)55(59)61-48-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-46,49H,3-42,47-48H2,1-2H3,(H,56,57)