[2-(2-ethylhexanoyloxymethyl)-2-(phenylcarbonyloxymethyl)butyl] benzoate

Systemtic Name: [2-(2-ethylhexanoyloxymethyl)-2-(phenylcarbonyloxymethyl)butyl] benzoate Openeye Name: [2-(benzoyloxymethyl)-2-(2-ethylhexanoyloxymethyl)butyl] benzoate CAS Name: benzoic acid [2-(benzoyloxymethyl)-2-[(2-ethyl-1-oxohexoxy)methyl]butyl] ester IUPAC Name: [2-(benzoyloxymethyl)-2-(2-ethylhexanoyloxymethyl)butyl] benzoate Traditional Name: benzoic acid [2-(benzoyloxymethyl)-2-(2-ethylhexanoyloxymethyl)butyl] ester Formula: C28H36O6 MolecularWeight: 468.58184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OCC(CC)(COC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)C(=O)OCC(CC)(COC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C28H36O6/c1-4-7-14-22(5-2)25(29)32-19-28(6-3,20-33-26(30)23-15-10-8-11-16-23)21-34-27(31)24-17-12-9-13-18-24/h8-13,15-18,22H,4-7,14,19-21H2,1-3H3