2-[3-(benzotriazol-2-yl)-5-tert-butyl-4-(4-methylphenyl)sulfonyloxy-phenyl]ethanoic acid

Systemtic Name: 2-[3-(benzotriazol-2-yl)-5-tert-butyl-4-(4-methylphenyl)sulfonyloxy-phenyl]ethanoic acid Openeye Name: 2-[3-(benzotriazol-2-yl)-5-tert-butyl-4-(p-tolylsulfonyloxy)phenyl]acetic acid CAS Name: 2-[3-(2-benzotriazolyl)-5-tert-butyl-4-(4-methylphenyl)sulfonyloxyphenyl]acetic acid IUPAC Name: 2-[3-(benzotriazol-2-yl)-5-tert-butyl-4-(4-methylphenyl)sulfonyloxyphenyl]acetic acid Traditional Name: 2-[3-(benzotriazol-2-yl)-5-tert-butyl-4-tosyloxy-phenyl]acetic acid Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2N3N=C4C=CC=CC4=N3)CC(=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2N3N=C4C=CC=CC4=N3)CC(=O)O)C(C)(C)C

InChI

InChI=1S/C25H25N3O5S/c1-16-9-11-18(12-10-16)34(31,32)33-24-19(25(2,3)4)13-17(15-23(29)30)14-22(24)28-26-20-7-5-6-8-21(20)27-28/h5-14H,15H2,1-4H3,(H,29,30)