hexadecyl 4-butylbenzoate

Systemtic Name: hexadecyl 4-butylbenzoate Openeye Name: hexadecyl 4-butylbenzoate CAS Name: 4-butylbenzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-butylbenzoate Traditional Name: 4-butylbenzoic acid cetyl ester Formula: C27H46O2 MolecularWeight: 402.65294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-24-29-27(28)26-22-20-25(21-23-26)19-6-4-2/h20-23H,3-19,24H2,1-2H3