[3-[(E)-2-methyl-3-(4-tetradecoxyphenyl)prop-2-enoyl]oxy-2-oxidanyl-propyl] hexadecanoate

Systemtic Name: [3-[(E)-2-methyl-3-(4-tetradecoxyphenyl)prop-2-enoyl]oxy-2-oxidanyl-propyl] hexadecanoate Openeye Name: [2-hydroxy-3-[(E)-2-methyl-3-(4-tetradecoxyphenyl)prop-2-enoyl]oxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [2-hydroxy-3-[(E)-2-methyl-1-oxo-3-(4-tetradecoxyphenyl)prop-2-enoxy]propyl] ester IUPAC Name: [2-hydroxy-3-[(E)-2-methyl-3-(4-tetradecoxyphenyl)prop-2-enoyl]oxypropyl] hexadecanoate Traditional Name: palmitic acid [2-hydroxy-3-[(E)-2-methyl-3-(4-myristyloxyphenyl)acryloyl]oxy-propyl] ester Formula: C43H74O6 MolecularWeight: 687.04406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C(=CC1=CC=C(C=C1)OCCCCCCCCCCCCCC)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)/C(=C/C1=CC=C(C=C1)OCCCCCCCCCCCCCC)/C)O

InChI

InChI=1S/C43H74O6/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-42(45)48-36-40(44)37-49-43(46)38(3)35-39-30-32-41(33-31-39)47-34-28-26-24-22-20-17-15-13-11-9-7-5-2/h30-33,35,40,44H,4-29,34,36-37H2,1-3H3/b38-35+