hexadecyl 2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: hexadecyl 2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: hexadecyl 2-(4-isobutylphenyl)propanoate CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid hexadecyl ester IUPAC Name: hexadecyl 2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: 2-(4-isobutylphenyl)propionic acid cetyl ester Formula: C29H50O2 MolecularWeight: 430.7061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(C)C1=CC=C(C=C1)CC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C)C1=CC=C(C=C1)CC(C)C

InChI

InChI=1S/C29H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-31-29(30)26(4)28-21-19-27(20-22-28)24-25(2)3/h19-22,25-26H,5-18,23-24H2,1-4H3