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

Systemtic Name: 3-[3-tert-butyl-4-oxidanyl-5-(5-phenylsulfanylbenzotriazol-2-yl)phenyl]propanoic acid Openeye Name: 3-[3-tert-butyl-4-hydroxy-5-(5-phenylsulfanylbenzotriazol-2-yl)phenyl]propanoic acid CAS Name: 3-[3-tert-butyl-4-hydroxy-5-[5-(phenylthio)-2-benzotriazolyl]phenyl]propanoic acid IUPAC Name: 3-[3-tert-butyl-4-hydroxy-5-(5-phenylsulfanylbenzotriazol-2-yl)phenyl]propanoic acid Traditional Name: 3-[3-tert-butyl-4-hydroxy-5-[5-(phenylthio)benzotriazol-2-yl]phenyl]propionic acid Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)O)N2N=C3C=CC(=CC3=N2)SC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)O)N2N=C3C=CC(=CC3=N2)SC4=CC=CC=C4)O

InChI

InChI=1S/C25H25N3O3S/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)32-17-7-5-4-6-8-17/h4-8,10-11,13-15,31H,9,12H2,1-3H3,(H,29,30)