2,5-bis[(3-chloranyl-4-methyl-phenyl)amino]terephthalic acid

Systemtic Name: 2,5-bis[(3-chloranyl-4-methyl-phenyl)amino]terephthalic acid Openeye Name: 2,5-bis(3-chloro-4-methyl-anilino)terephthalic acid CAS Name: 2,5-bis(3-chloro-4-methylanilino)terephthalic acid IUPAC Name: 2,5-bis(3-chloro-4-methylanilino)terephthalic acid Traditional Name: 2,5-bis(3-chloro-4-methyl-anilino)terephthalic acid Formula: C22H18Cl2N2O4 MolecularWeight: 445.29532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=CC(=C(C=C2C(=O)O)NC3=CC(=C(C=C3)C)Cl)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=CC(=C(C=C2C(=O)O)NC3=CC(=C(C=C3)C)Cl)C(=O)O)Cl

InChI

InChI=1S/C22H18Cl2N2O4/c1-11-3-5-13(7-17(11)23)25-19-9-16(22(29)30)20(10-15(19)21(27)28)26-14-6-4-12(2)18(24)8-14/h3-10,25-26H,1-2H3,(H,27,28)(H,29,30)