6,6-dimethyl-3-oxidanyl-5-oxidanylidene-4-(1,2,4-triazol-1-yl)heptanoic acid

Systemtic Name: 6,6-dimethyl-3-oxidanyl-5-oxidanylidene-4-(1,2,4-triazol-1-yl)heptanoic acid Openeye Name: 3-hydroxy-6,6-dimethyl-5-oxo-4-(1,2,4-triazol-1-yl)heptanoic acid CAS Name: 3-hydroxy-6,6-dimethyl-5-oxo-4-(1,2,4-triazol-1-yl)heptanoic acid IUPAC Name: 3-hydroxy-6,6-dimethyl-5-oxo-4-(1,2,4-triazol-1-yl)heptanoic acid Traditional Name: 3-hydroxy-5-keto-6,6-dimethyl-4-(1,2,4-triazol-1-yl)enanthic acid Formula: C11H17N3O4 MolecularWeight: 255.27038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C(CC(=O)O)O)N1C=NC=N1

Isomeric SMILES

CC(C)(C)C(=O)C(C(CC(=O)O)O)N1C=NC=N1

InChI

InChI=1S/C11H17N3O4/c1-11(2,3)10(18)9(7(15)4-8(16)17)14-6-12-5-13-14/h5-7,9,15H,4H2,1-3H3,(H,16,17)