2,3-bis(phenylcarbonyloxy)propyl benzoate; hexadecan-1-amine

Systemtic Name: 2,3-bis(phenylcarbonyloxy)propyl benzoate; hexadecan-1-amine Openeye Name: 2,3-dibenzoyloxypropyl benzoate; hexadecan-1-amine CAS Name: benzoic acid 2,3-dibenzoyloxypropyl ester; 1-hexadecanamine IUPAC Name: 2,3-dibenzoyloxypropyl benzoate; hexadecan-1-amine Traditional Name: benzoic acid 2,3-dibenzoyloxypropyl ester; cetylamine Formula: C40H55NO6 MolecularWeight: 645.8678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN.C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCN.C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H20O6.C16H35N/c25-22(18-10-4-1-5-11-18)28-16-21(30-24(27)20-14-8-3-9-15-20)17-29-23(26)19-12-6-2-7-13-19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h1-15,21H,16-17H2;2-17H2,1H3