(E)-5-(benzotriazol-2-yl)-6-(4-methylphenoxy)-5-oxidanyl-hex-2-enoic acid

Systemtic Name: (E)-5-(benzotriazol-2-yl)-6-(4-methylphenoxy)-5-oxidanyl-hex-2-enoic acid Openeye Name: (E)-5-(benzotriazol-2-yl)-5-hydroxy-6-(4-methylphenoxy)hex-2-enoic acid CAS Name: (E)-5-(2-benzotriazolyl)-5-hydroxy-6-(4-methylphenoxy)-2-hexenoic acid IUPAC Name: (E)-5-(benzotriazol-2-yl)-5-hydroxy-6-(4-methylphenoxy)hex-2-enoic acid Traditional Name: (E)-5-(benzotriazol-2-yl)-5-hydroxy-6-(4-methylphenoxy)hex-2-enoic acid Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CC=CC(=O)O)(N2N=C3C=CC=CC3=N2)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(C/C=C/C(=O)O)(N2N=C3C=CC=CC3=N2)O

InChI

InChI=1S/C19H19N3O4/c1-14-8-10-15(11-9-14)26-13-19(25,12-4-7-18(23)24)22-20-16-5-2-3-6-17(16)21-22/h2-11,25H,12-13H2,1H3,(H,23,24)/b7-4+