hexadecyl 4-butoxybenzoate

Systemtic Name: hexadecyl 4-butoxybenzoate Openeye Name: hexadecyl 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid cetyl ester Formula: C27H46O3 MolecularWeight: 418.65234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-24-30-27(28)25-19-21-26(22-20-25)29-23-6-4-2/h19-22H,3-18,23-24H2,1-2H3