2,9-bis[[3-(benzotriazol-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]methyl]decanedioate

Systemtic Name: 2,9-bis[[3-(benzotriazol-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]methyl]decanedioate Openeye Name: 2,9-bis[[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]methyl]decanedioate CAS Name: 2,9-bis[[3-(2-benzotriazolyl)-5-tert-butyl-4-hydroxyphenyl]methyl]decanedioate IUPAC Name: 2,9-bis[[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl]decanedioate Traditional Name: 2,9-bis[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-benzyl]sebacate Formula: C44H50N6O6-2 MolecularWeight: 758.9044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)CC(CCCCCCC(CC2=CC(=C(C(=C2)N3N=C4C=CC=CC4=N3)O)C(C)(C)C)C(=O)[O-])C(=O)[O-])N5N=C6C=CC=CC6=N5)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)CC(CCCCCCC(CC2=CC(=C(C(=C2)N3N=C4C=CC=CC4=N3)O)C(C)(C)C)C(=O)[O-])C(=O)[O-])N5N=C6C=CC=CC6=N5)O

InChI

InChI=1S/C44H52N6O6/c1-43(2,3)31-23-27(25-37(39(31)51)49-45-33-17-11-12-18-34(33)46-49)21-29(41(53)54)15-9-7-8-10-16-30(42(55)56)22-28-24-32(44(4,5)6)40(52)38(26-28)50-47-35-19-13-14-20-36(35)48-50/h11-14,17-20,23-26,29-30,51-52H,7-10,15-16,21-22H2,1-6H3,(H,53,54)(H,55,56)/p-2