7-(3-methyl-5-phenyl-1,2,3-triazol-4-yl)-3,5-bis(oxidanyl)heptanoic acid

Systemtic Name: 7-(3-methyl-5-phenyl-1,2,3-triazol-4-yl)-3,5-bis(oxidanyl)heptanoic acid Openeye Name: 3,5-dihydroxy-7-(3-methyl-5-phenyl-triazol-4-yl)heptanoic acid CAS Name: 3,5-dihydroxy-7-(3-methyl-5-phenyl-4-triazolyl)heptanoic acid IUPAC Name: 3,5-dihydroxy-7-(3-methyl-5-phenyltriazol-4-yl)heptanoic acid Traditional Name: 3,5-dihydroxy-7-(3-methyl-5-phenyl-triazol-4-yl)enanthic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(N=N1)C2=CC=CC=C2)CCC(CC(CC(=O)O)O)O

Isomeric SMILES

CN1C(=C(N=N1)C2=CC=CC=C2)CCC(CC(CC(=O)O)O)O

InChI

InChI=1S/C16H21N3O4/c1-19-14(8-7-12(20)9-13(21)10-15(22)23)16(17-18-19)11-5-3-2-4-6-11/h2-6,12-13,20-21H,7-10H2,1H3,(H,22,23)