4-[4-[(E)-4-oxidanylidene-4-undecoxy-3-undecoxycarbonyl-but-1-enyl]phenyl]carbonyloxybenzoic acid

Systemtic Name: 4-[4-[(E)-4-oxidanylidene-4-undecoxy-3-undecoxycarbonyl-but-1-enyl]phenyl]carbonyloxybenzoic acid Openeye Name: 4-[4-[(E)-4-oxo-4-undecoxy-3-undecoxycarbonyl-but-1-enyl]benzoyl]oxybenzoic acid CAS Name: 4-[oxo-[4-[(E)-4-oxo-3-[oxo(undecoxy)methyl]-4-undecoxybut-1-enyl]phenyl]methoxy]benzoic acid IUPAC Name: 4-[4-[(E)-4-oxo-4-undecoxy-3-undecoxycarbonylbut-1-enyl]benzoyl]oxybenzoic acid Traditional Name: 4-[4-[(E)-4-keto-4-undecoxy-3-undecoxycarbonyl-but-1-enyl]benzoyl]oxybenzoic acid Formula: C41H58O8 MolecularWeight: 678.89442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=O)C(C=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCOC(=O)C(/C=C/C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCCCCCCCCCC

InChI

InChI=1S/C41H58O8/c1-3-5-7-9-11-13-15-17-19-31-47-40(45)37(41(46)48-32-20-18-16-14-12-10-8-6-4-2)30-23-33-21-24-35(25-22-33)39(44)49-36-28-26-34(27-29-36)38(42)43/h21-30,37H,3-20,31-32H2,1-2H3,(H,42,43)/b30-23+