O2-[(2-chloranylcyclohexyl)methyl] O1-(4-methylpentyl) benzene-1,2-dicarboxylate

Systemtic Name: O2-[(2-chloranylcyclohexyl)methyl] O1-(4-methylpentyl) benzene-1,2-dicarboxylate Openeye Name: O2-[(2-chlorocyclohexyl)methyl] O1-isohexyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-[(2-chlorocyclohexyl)methyl] ester O1-(4-methylpentyl) ester IUPAC Name: 2-O-[(2-chlorocyclohexyl)methyl] 1-O-(4-methylpentyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-[(2-chlorocyclohexyl)methyl] ester O1-isohexyl ester Formula: C21H29ClO4 MolecularWeight: 380.90556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCC2CCCCC2Cl

Isomeric SMILES

CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCC2CCCCC2Cl

InChI

InChI=1S/C21H29ClO4/c1-15(2)8-7-13-25-20(23)17-10-4-5-11-18(17)21(24)26-14-16-9-3-6-12-19(16)22/h4-5,10-11,15-16,19H,3,6-9,12-14H2,1-2H3