5-(3,4,4-trimethyl-3-oxidanyl-pent-1-ynyl)pyridine-2-carboxylic acid

Systemtic Name: 5-(3,4,4-trimethyl-3-oxidanyl-pent-1-ynyl)pyridine-2-carboxylic acid Openeye Name: 5-(3-hydroxy-3,4,4-trimethyl-pent-1-ynyl)pyridine-2-carboxylic acid CAS Name: 5-(3-hydroxy-3,4,4-trimethylpent-1-ynyl)-2-pyridinecarboxylic acid IUPAC Name: 5-(3-hydroxy-3,4,4-trimethylpent-1-ynyl)pyridine-2-carboxylic acid Traditional Name: 5-(3-hydroxy-3,4,4-trimethyl-pent-1-ynyl)picolinic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C)(C#CC1=CN=C(C=C1)C(=O)O)O

Isomeric SMILES

CC(C)(C)C(C)(C#CC1=CN=C(C=C1)C(=O)O)O

InChI

InChI=1S/C14H17NO3/c1-13(2,3)14(4,18)8-7-10-5-6-11(12(16)17)15-9-10/h5-6,9,18H,1-4H3,(H,16,17)