2,2-bis[2-(benzotriazol-2-yl)-4,6-ditert-butyl-phenyl]hexanedioic acid

Systemtic Name: 2,2-bis[2-(benzotriazol-2-yl)-4,6-ditert-butyl-phenyl]hexanedioic acid Openeye Name: 2,2-bis[2-(benzotriazol-2-yl)-4,6-ditert-butyl-phenyl]hexanedioic acid CAS Name: 2,2-bis[2-(2-benzotriazolyl)-4,6-ditert-butylphenyl]hexanedioic acid IUPAC Name: 2,2-bis[2-(benzotriazol-2-yl)-4,6-ditert-butylphenyl]hexanedioic acid Traditional Name: 2,2-bis[2-(benzotriazol-2-yl)-4,6-ditert-butyl-phenyl]adipic acid Formula: C46H56N6O4 MolecularWeight: 756.97464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)C(CCCC(=O)O)(C4=C(C=C(C=C4N5N=C6C=CC=CC6=N5)C(C)(C)C)C(C)(C)C)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)C(CCCC(=O)O)(C4=C(C=C(C=C4N5N=C6C=CC=CC6=N5)C(C)(C)C)C(C)(C)C)C(=O)O)C(C)(C)C

InChI

InChI=1S/C46H56N6O4/c1-42(2,3)28-24-30(44(7,8)9)39(36(26-28)51-47-32-18-13-14-19-33(32)48-51)46(41(55)56,23-17-22-38(53)54)40-31(45(10,11)12)25-29(43(4,5)6)27-37(40)52-49-34-20-15-16-21-35(34)50-52/h13-16,18-21,24-27H,17,22-23H2,1-12H3,(H,53,54)(H,55,56)