2,4-bis(2-chloranyl-5-propyl-phenyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis(2-chloranyl-5-propyl-phenyl)benzene-1,3-dicarboxylic acid Openeye Name: 2,4-bis(2-chloro-5-propyl-phenyl)benzene-1,3-dicarboxylic acid CAS Name: 2,4-bis(2-chloro-5-propylphenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2,4-bis(2-chloro-5-propylphenyl)benzene-1,3-dicarboxylic acid Traditional Name: 2,4-bis(2-chloro-5-propyl-phenyl)isophthalic acid Formula: C26H24Cl2O4 MolecularWeight: 471.37236

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)Cl)C2=C(C(=C(C=C2)C(=O)O)C3=C(C=CC(=C3)CCC)Cl)C(=O)O

Isomeric SMILES

CCCC1=CC(=C(C=C1)Cl)C2=C(C(=C(C=C2)C(=O)O)C3=C(C=CC(=C3)CCC)Cl)C(=O)O

InChI

InChI=1S/C26H24Cl2O4/c1-3-5-15-7-11-21(27)19(13-15)17-9-10-18(25(29)30)23(24(17)26(31)32)20-14-16(6-4-2)8-12-22(20)28/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32)