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

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

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(=CC3=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(=CC3=N2)S(=O)(=O)C4=CC=CC=C4)O

InChI

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