3-(3-tert-butyl-4-oxidanyl-phenyl)-2-[5-(phenylsulfonyl)benzotriazol-2-yl]propanoic acid

Systemtic Name: 3-(3-tert-butyl-4-oxidanyl-phenyl)-2-[5-(phenylsulfonyl)benzotriazol-2-yl]propanoic acid Openeye Name: 2-[5-(benzenesulfonyl)benzotriazol-2-yl]-3-(3-tert-butyl-4-hydroxy-phenyl)propanoic acid CAS Name: 2-[5-(benzenesulfonyl)-2-benzotriazolyl]-3-(3-tert-butyl-4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[5-(benzenesulfonyl)benzotriazol-2-yl]-3-(3-tert-butyl-4-hydroxyphenyl)propanoic acid Traditional Name: 2-(5-besylbenzotriazol-2-yl)-3-(3-tert-butyl-4-hydroxy-phenyl)propionic acid Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)CC(C(=O)O)N2N=C3C=CC(=CC3=N2)S(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)CC(C(=O)O)N2N=C3C=CC(=CC3=N2)S(=O)(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C25H25N3O5S/c1-25(2,3)19-13-16(9-12-23(19)29)14-22(24(30)31)28-26-20-11-10-18(15-21(20)27-28)34(32,33)17-7-5-4-6-8-17/h4-13,15,22,29H,14H2,1-3H3,(H,30,31)