O1-(4-chloranyl-3-methyl-phenyl) O2-pentan-2-yl benzene-1,2-dicarboxylate

Systemtic Name: O1-(4-chloranyl-3-methyl-phenyl) O2-pentan-2-yl benzene-1,2-dicarboxylate Openeye Name: O1-(4-chloro-3-methyl-phenyl) O2-(1-methylbutyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-(4-chloro-3-methylphenyl) ester O2-pentan-2-yl ester IUPAC Name: 1-O-(4-chloro-3-methylphenyl) 2-O-pentan-2-yl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-(4-chloro-3-methyl-phenyl) ester O2-(1-methylbutyl) ester Formula: C20H21ClO4 MolecularWeight: 360.83134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC(=O)C1=CC=CC=C1C(=O)OC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CCCC(C)OC(=O)C1=CC=CC=C1C(=O)OC2=CC(=C(C=C2)Cl)C

InChI

InChI=1S/C20H21ClO4/c1-4-7-14(3)24-19(22)16-8-5-6-9-17(16)20(23)25-15-10-11-18(21)13(2)12-15/h5-6,8-12,14H,4,7H2,1-3H3