[4-[(E)-4-(4-hexadecanoyloxyphenyl)hex-3-en-3-yl]phenyl] hexadecanoate

Systemtic Name: [4-[(E)-4-(4-hexadecanoyloxyphenyl)hex-3-en-3-yl]phenyl] hexadecanoate Openeye Name: [4-[(E)-1-ethyl-2-(4-hexadecanoyloxyphenyl)but-1-enyl]phenyl] hexadecanoate CAS Name: hexadecanoic acid [4-[(E)-4-[4-(1-oxohexadecoxy)phenyl]hex-3-en-3-yl]phenyl] ester IUPAC Name: [4-[(E)-4-(4-hexadecanoyloxyphenyl)hex-3-en-3-yl]phenyl] hexadecanoate Traditional Name: palmitic acid [4-[(E)-1-ethyl-2-(4-hexadecanoyloxyphenyl)but-1-enyl]phenyl] ester Formula: C50H80O4 MolecularWeight: 745.1678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(=C(CC)C2=CC=C(C=C2)OC(=O)CCCCCCCCCCCCCCC)CC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)/C(=C(\CC)/C2=CC=C(C=C2)OC(=O)CCCCCCCCCCCCCCC)/CC

InChI

InChI=1S/C50H80O4/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-49(51)53-45-39-35-43(36-40-45)47(7-3)48(8-4)44-37-41-46(42-38-44)54-50(52)34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h35-42H,5-34H2,1-4H3/b48-47+