2,2-bis[2-(benzotriazol-2-yl)-4-methyl-phenyl]hexanedioate

Systemtic Name: 2,2-bis[2-(benzotriazol-2-yl)-4-methyl-phenyl]hexanedioate Openeye Name: 2,2-bis[2-(benzotriazol-2-yl)-4-methyl-phenyl]hexanedioate CAS Name: 2,2-bis[2-(2-benzotriazolyl)-4-methylphenyl]hexanedioate IUPAC Name: 2,2-bis[2-(benzotriazol-2-yl)-4-methylphenyl]hexanedioate Traditional Name: 2,2-bis[2-(benzotriazol-2-yl)-4-methyl-phenyl]adipate Formula: C32H26N6O4-2 MolecularWeight: 558.58664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(CCCC(=O)[O-])(C2=C(C=C(C=C2)C)N3N=C4C=CC=CC4=N3)C(=O)[O-])N5N=C6C=CC=CC6=N5

Isomeric SMILES

CC1=CC(=C(C=C1)C(CCCC(=O)[O-])(C2=C(C=C(C=C2)C)N3N=C4C=CC=CC4=N3)C(=O)[O-])N5N=C6C=CC=CC6=N5

InChI

InChI=1S/C32H28N6O4/c1-20-13-15-22(28(18-20)37-33-24-8-3-4-9-25(24)34-37)32(31(41)42,17-7-12-30(39)40)23-16-14-21(2)19-29(23)38-35-26-10-5-6-11-27(26)36-38/h3-6,8-11,13-16,18-19H,7,12,17H2,1-2H3,(H,39,40)(H,41,42)/p-2