(phenylmethyl) dodecanoate; (phenylmethyl) hexadecanoate; tetradecanoate

Systemtic Name: (phenylmethyl) dodecanoate; (phenylmethyl) hexadecanoate; tetradecanoate Openeye Name: benzyl dodecanoate; benzyl hexadecanoate; tetradecanoate CAS Name: dodecanoic acid (phenylmethyl) ester; hexadecanoic acid (phenylmethyl) ester; tetradecanoate IUPAC Name: benzyl dodecanoate; benzyl hexadecanoate; tetradecanoate Traditional Name: lauric acid benzyl ester; myristate; palmitic acid benzyl ester Formula: C56H95O6- MolecularWeight: 864.3499

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1.CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1.CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C23H38O2.C19H30O2.C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(24)25-21-22-18-15-14-16-19-22;1-2-3-4-5-6-7-8-9-13-16-19(20)21-17-18-14-11-10-12-15-18;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h14-16,18-19H,2-13,17,20-21H2,1H3;10-12,14-15H,2-9,13,16-17H2,1H3;2-13H2,1H3,(H,15,16)/p-1