[4-[4-(4-dodecanoyloxyphenyl)buta-1,3-diynyl]phenyl] dodecanoate

Systemtic Name: [4-[4-(4-dodecanoyloxyphenyl)buta-1,3-diynyl]phenyl] dodecanoate Openeye Name: [4-[4-(4-dodecanoyloxyphenyl)buta-1,3-diynyl]phenyl] dodecanoate CAS Name: dodecanoic acid [4-[4-[4-(1-oxododecoxy)phenyl]buta-1,3-diynyl]phenyl] ester IUPAC Name: [4-[4-(4-dodecanoyloxyphenyl)buta-1,3-diynyl]phenyl] dodecanoate Traditional Name: lauric acid [4-[4-(4-lauroyloxyphenyl)buta-1,3-diynyl]phenyl] ester Formula: C40H54O4 MolecularWeight: 598.85436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)OC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C40H54O4/c1-3-5-7-9-11-13-15-17-19-25-39(41)43-37-31-27-35(28-32-37)23-21-22-24-36-29-33-38(34-30-36)44-40(42)26-20-18-16-14-12-10-8-6-4-2/h27-34H,3-20,25-26H2,1-2H3