[2,2-bis(hydroxymethyl)-3-octadecanoyloxy-propyl] benzoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-octadecanoyloxy-propyl] benzoate Openeye Name: [2,2-bis(hydroxymethyl)-3-octadecanoyloxy-propyl] benzoate CAS Name: benzoic acid [2,2-bis(hydroxymethyl)-3-(1-oxooctadecoxy)propyl] ester IUPAC Name: [2,2-bis(hydroxymethyl)-3-octadecanoyloxypropyl] benzoate Traditional Name: benzoic acid (2,2-dimethylol-3-stearoyloxy-propyl) ester Formula: C30H50O6 MolecularWeight: 506.7144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H50O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-28(33)35-25-30(23-31,24-32)26-36-29(34)27-20-17-16-18-21-27/h16-18,20-21,31-32H,2-15,19,22-26H2,1H3