4-[4-[(E)-4-hexadecoxy-3-hexadecoxycarbonyl-4-oxidanylidene-but-1-enyl]phenyl]carbonyloxybenzoic acid

Systemtic Name: 4-[4-[(E)-4-hexadecoxy-3-hexadecoxycarbonyl-4-oxidanylidene-but-1-enyl]phenyl]carbonyloxybenzoic acid Openeye Name: 4-[4-[(E)-4-hexadecoxy-3-hexadecoxycarbonyl-4-oxo-but-1-enyl]benzoyl]oxybenzoic acid CAS Name: 4-[[4-[(E)-4-hexadecoxy-3-[hexadecoxy(oxo)methyl]-4-oxobut-1-enyl]phenyl]-oxomethoxy]benzoic acid IUPAC Name: 4-[4-[(E)-4-hexadecoxy-3-hexadecoxycarbonyl-4-oxobut-1-enyl]benzoyl]oxybenzoic acid Traditional Name: 4-[4-[(E)-4-cetyloxy-3-cetyloxycarbonyl-4-keto-but-1-enyl]benzoyl]oxybenzoic acid Formula: C51H78O8 MolecularWeight: 819.16022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(C=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(/C=C/C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C51H78O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-41-57-50(55)47(51(56)58-42-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)40-33-43-31-34-45(35-32-43)49(54)59-46-38-36-44(37-39-46)48(52)53/h31-40,47H,3-30,41-42H2,1-2H3,(H,52,53)/b40-33+