hexadecan-4-yl 4-butylbenzoate

Systemtic Name: hexadecan-4-yl 4-butylbenzoate Openeye Name: 1-propyltridecyl 4-butylbenzoate CAS Name: 4-butylbenzoic acid hexadecan-4-yl ester IUPAC Name: hexadecan-4-yl 4-butylbenzoate Traditional Name: 4-butylbenzoic acid 1-propyltridecyl ester Formula: C27H46O2 MolecularWeight: 402.65294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC)OC(=O)C1=CC=C(C=C1)CCCC

Isomeric SMILES

CCCCCCCCCCCCC(CCC)OC(=O)C1=CC=C(C=C1)CCCC

InChI

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