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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=N1)C2=CC=CC=C2)CCC(CC(CC(=O)O)O)O

Isomeric SMILES

CC1=C(N(N=N1)C2=CC=CC=C2)CCC(CC(CC(=O)O)O)O

InChI

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