2,4-bis[2-tert-butyl-6-(5-chloranylbenzotriazol-2-yl)-4-methyl-phenyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis[2-tert-butyl-6-(5-chloranylbenzotriazol-2-yl)-4-methyl-phenyl]benzene-1,3-dicarboxylic acid Openeye Name: 2,4-bis[2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methyl-phenyl]benzene-1,3-dicarboxylic acid CAS Name: 2,4-bis[2-tert-butyl-6-(5-chloro-2-benzotriazolyl)-4-methylphenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenyl]benzene-1,3-dicarboxylic acid Traditional Name: 2,4-bis[2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methyl-phenyl]isophthalic acid Formula: C42H38Cl2N6O4 MolecularWeight: 761.69492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)C4=C(C(=C(C=C4)C(=O)O)C5=C(C=C(C=C5N6N=C7C=CC(=CC7=N6)Cl)C)C(C)(C)C)C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)C4=C(C(=C(C=C4)C(=O)O)C5=C(C=C(C=C5N6N=C7C=CC(=CC7=N6)Cl)C)C(C)(C)C)C(=O)O)C(C)(C)C

InChI

InChI=1S/C42H38Cl2N6O4/c1-21-15-27(41(3,4)5)35(33(17-21)49-45-29-13-9-23(43)19-31(29)47-49)25-11-12-26(39(51)52)36(37(25)40(53)54)38-28(42(6,7)8)16-22(2)18-34(38)50-46-30-14-10-24(44)20-32(30)48-50/h9-20H,1-8H3,(H,51,52)(H,53,54)