2,4-bis(2-chloranyl-4-methyl-phenyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis(2-chloranyl-4-methyl-phenyl)benzene-1,3-dicarboxylic acid Openeye Name: 2,4-bis(2-chloro-4-methyl-phenyl)benzene-1,3-dicarboxylic acid CAS Name: 2,4-bis(2-chloro-4-methylphenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2,4-bis(2-chloro-4-methylphenyl)benzene-1,3-dicarboxylic acid Traditional Name: 2,4-bis(2-chloro-4-methyl-phenyl)isophthalic acid Formula: C22H16Cl2O4 MolecularWeight: 415.26604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)C3=C(C=C(C=C3)C)Cl)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)C3=C(C=C(C=C3)C)Cl)C(=O)O)Cl

InChI

InChI=1S/C22H16Cl2O4/c1-11-3-5-13(17(23)9-11)14-7-8-16(21(25)26)19(20(14)22(27)28)15-6-4-12(2)10-18(15)24/h3-10H,1-2H3,(H,25,26)(H,27,28)