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

Systemtic Name: 3-[3-tert-butyl-4-oxidanyl-5-[4-(phenylsulfonyl)benzotriazol-2-yl]phenyl]propanoate Openeye Name: 3-[3-[4-(benzenesulfonyl)benzotriazol-2-yl]-5-tert-butyl-4-hydroxy-phenyl]propanoate CAS Name: 3-[3-[4-(benzenesulfonyl)-2-benzotriazolyl]-5-tert-butyl-4-hydroxyphenyl]propanoate IUPAC Name: 3-[3-[4-(benzenesulfonyl)benzotriazol-2-yl]-5-tert-butyl-4-hydroxyphenyl]propanoate Traditional Name: 3-[3-(4-besylbenzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propionate Formula: C25H24N3O5S- MolecularWeight: 478.54016

Click to see the large picture

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)/p-1