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

Systemtic Name: O2-(4-chloranyl-3-methyl-phenyl) O1-heptyl benzene-1,2-dicarboxylate Openeye Name: O2-(4-chloro-3-methyl-phenyl) O1-heptyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(4-chloro-3-methylphenyl) ester O1-heptyl ester IUPAC Name: 2-O-(4-chloro-3-methylphenyl) 1-O-heptyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(4-chloro-3-methyl-phenyl) ester O1-heptyl ester Formula: C22H25ClO4 MolecularWeight: 388.8845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC2=CC(=C(C=C2)Cl)C

InChI

InChI=1S/C22H25ClO4/c1-3-4-5-6-9-14-26-21(24)18-10-7-8-11-19(18)22(25)27-17-12-13-20(23)16(2)15-17/h7-8,10-13,15H,3-6,9,14H2,1-2H3