(1,2-dicyclohexyl-2-oxidanylidene-ethyl) benzoate

Systemtic Name: (1,2-dicyclohexyl-2-oxidanylidene-ethyl) benzoate Openeye Name: (1,2-dicyclohexyl-2-oxo-ethyl) benzoate CAS Name: benzoic acid (1,2-dicyclohexyl-2-oxoethyl) ester IUPAC Name: (1,2-dicyclohexyl-2-oxoethyl) benzoate Traditional Name: benzoic acid (1,2-dicyclohexyl-2-keto-ethyl) ester Formula: C21H28O3 MolecularWeight: 328.44522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)C2CCCCC2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(C(=O)C2CCCCC2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H28O3/c22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24-21(23)18-14-8-3-9-15-18/h3,8-9,14-17,20H,1-2,4-7,10-13H2