[2-(octanoyloxymethyl)-2-phenyl-butyl] octanoate

Systemtic Name: [2-(octanoyloxymethyl)-2-phenyl-butyl] octanoate Openeye Name: [2-(octanoyloxymethyl)-2-phenyl-butyl] octanoate CAS Name: octanoic acid [2-(1-oxooctoxymethyl)-2-phenylbutyl] ester IUPAC Name: [2-(octanoyloxymethyl)-2-phenylbutyl] octanoate Traditional Name: caprylic acid [2-(caprylyloxymethyl)-2-phenyl-butyl] ester Formula: C27H44O4 MolecularWeight: 432.63586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC)C1=CC=CC=C1

InChI

InChI=1S/C27H44O4/c1-4-7-9-11-16-20-25(28)30-22-27(6-3,24-18-14-13-15-19-24)23-31-26(29)21-17-12-10-8-5-2/h13-15,18-19H,4-12,16-17,20-23H2,1-3H3