2,2-bis(cyclohexylcarbonyloxymethyl)butyl benzoate

Systemtic Name: 2,2-bis(cyclohexylcarbonyloxymethyl)butyl benzoate Openeye Name: 2,2-bis(cyclohexanecarbonyloxymethyl)butyl benzoate CAS Name: benzoic acid 2,2-bis[[cyclohexyl(oxo)methoxy]methyl]butyl ester IUPAC Name: 2,2-bis(cyclohexanecarbonyloxymethyl)butyl benzoate Traditional Name: benzoic acid 2,2-bis(cyclohexanecarbonyloxymethyl)butyl ester Formula: C27H38O6 MolecularWeight: 458.58702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1CCCCC1)(COC(=O)C2CCCCC2)COC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(COC(=O)C1CCCCC1)(COC(=O)C2CCCCC2)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H38O6/c1-2-27(18-31-24(28)21-12-6-3-7-13-21,19-32-25(29)22-14-8-4-9-15-22)20-33-26(30)23-16-10-5-11-17-23/h3,6-7,12-13,22-23H,2,4-5,8-11,14-20H2,1H3