(2-hexadecanoyloxy-3-oxidanyl-propyl) 4-(2,2-dimethylpropanoyl)benzoate

Systemtic Name: (2-hexadecanoyloxy-3-oxidanyl-propyl) 4-(2,2-dimethylpropanoyl)benzoate Openeye Name: (2-hexadecanoyloxy-3-hydroxy-propyl) 4-(2,2-dimethylpropanoyl)benzoate CAS Name: 4-(2,2-dimethyl-1-oxopropyl)benzoic acid [3-hydroxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: (2-hexadecanoyloxy-3-hydroxypropyl) 4-(2,2-dimethylpropanoyl)benzoate Traditional Name: 4-pivaloylbenzoic acid (2-hexadecanoyloxy-3-hydroxy-propyl) ester Formula: C31H50O6 MolecularWeight: 518.7251

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)C1=CC=C(C=C1)C(=O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)C1=CC=C(C=C1)C(=O)C(C)(C)C

InChI

InChI=1S/C31H50O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(33)37-27(23-32)24-36-30(35)26-21-19-25(20-22-26)29(34)31(2,3)4/h19-22,27,32H,5-18,23-24H2,1-4H3