4-[4-[(E)-4-dodecoxy-3-dodecoxycarbonyl-4-oxidanylidene-but-1-enyl]phenyl]carbonyloxy-3-methoxy-benzoic acid

Systemtic Name: 4-[4-[(E)-4-dodecoxy-3-dodecoxycarbonyl-4-oxidanylidene-but-1-enyl]phenyl]carbonyloxy-3-methoxy-benzoic acid Openeye Name: 4-[4-[(E)-4-dodecoxy-3-dodecoxycarbonyl-4-oxo-but-1-enyl]benzoyl]oxy-3-methoxy-benzoic acid CAS Name: 4-[[4-[(E)-4-dodecoxy-3-[dodecoxy(oxo)methyl]-4-oxobut-1-enyl]phenyl]-oxomethoxy]-3-methoxybenzoic acid IUPAC Name: 4-[4-[(E)-4-dodecoxy-3-dodecoxycarbonyl-4-oxobut-1-enyl]benzoyl]oxy-3-methoxybenzoic acid Traditional Name: 4-[4-[(E)-4-keto-4-lauryloxy-3-lauryloxycarbonyl-but-1-enyl]benzoyl]oxy-3-methoxy-benzoic acid Formula: C44H64O9 MolecularWeight: 736.97356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(C=CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)O)OC)C(=O)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(/C=C/C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)O)OC)C(=O)OCCCCCCCCCCCC

InChI

InChI=1S/C44H64O9/c1-4-6-8-10-12-14-16-18-20-22-32-51-43(48)38(44(49)52-33-23-21-19-17-15-13-11-9-7-5-2)30-26-35-24-27-36(28-25-35)42(47)53-39-31-29-37(41(45)46)34-40(39)50-3/h24-31,34,38H,4-23,32-33H2,1-3H3,(H,45,46)/b30-26+