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

Systemtic Name: 3-[3-tert-butyl-4-oxidanyl-5-[4-(phenylsulfonyl)benzotriazol-2-yl]phenyl]propanoic acid Openeye Name: 3-[3-[4-(benzenesulfonyl)benzotriazol-2-yl]-5-tert-butyl-4-hydroxy-phenyl]propanoic acid CAS Name: 3-[3-[4-(benzenesulfonyl)-2-benzotriazolyl]-5-tert-butyl-4-hydroxyphenyl]propanoic acid IUPAC Name: 3-[3-[4-(benzenesulfonyl)benzotriazol-2-yl]-5-tert-butyl-4-hydroxyphenyl]propanoic acid Traditional Name: 3-[3-(4-besylbenzotriazol-2-yl)-5-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)CCC(=O)O)N2N=C3C=CC=C(C3=N2)S(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)O)N2N=C3C=CC=C(C3=N2)S(=O)(=O)C4=CC=CC=C4)O

InChI

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