[2-(dodecanoyloxymethyl)-2-(hydroxymethyl)butyl] benzoate

Systemtic Name: [2-(dodecanoyloxymethyl)-2-(hydroxymethyl)butyl] benzoate Openeye Name: [2-(dodecanoyloxymethyl)-2-(hydroxymethyl)butyl] benzoate CAS Name: benzoic acid [2-(hydroxymethyl)-2-(1-oxododecoxymethyl)butyl] ester IUPAC Name: [2-(dodecanoyloxymethyl)-2-(hydroxymethyl)butyl] benzoate Traditional Name: benzoic acid [2-(lauroyloxymethyl)-2-methylol-butyl] ester Formula: C25H40O5 MolecularWeight: 420.5821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C25H40O5/c1-3-5-6-7-8-9-10-11-15-18-23(27)29-20-25(4-2,19-26)21-30-24(28)22-16-13-12-14-17-22/h12-14,16-17,26H,3-11,15,18-21H2,1-2H3