1,3-di(hexadecanoyloxy)propan-2-yl 4-(2,2-dimethylpropanoyl)benzoate

Systemtic Name: 1,3-di(hexadecanoyloxy)propan-2-yl 4-(2,2-dimethylpropanoyl)benzoate Openeye Name: [2-hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl] 4-(2,2-dimethylpropanoyl)benzoate CAS Name: 4-(2,2-dimethyl-1-oxopropyl)benzoic acid 1,3-bis(1-oxohexadecoxy)propan-2-yl ester IUPAC Name: 1,3-di(hexadecanoyloxy)propan-2-yl 4-(2,2-dimethylpropanoyl)benzoate Traditional Name: 4-pivaloylbenzoic acid [2-hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl] ester Formula: C47H80O7 MolecularWeight: 757.1339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C1=CC=C(C=C1)C(=O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C1=CC=C(C=C1)C(=O)C(C)(C)C

InChI

InChI=1S/C47H80O7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-43(48)52-38-42(54-46(51)41-36-34-40(35-37-41)45(50)47(3,4)5)39-53-44(49)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h34-37,42H,6-33,38-39H2,1-5H3