5-(4-oxidanylhepta-1,6-dien-4-yl)pyridine-2-carboxylic acid

Systemtic Name: 5-(4-oxidanylhepta-1,6-dien-4-yl)pyridine-2-carboxylic acid Openeye Name: 5-(1-allyl-1-hydroxy-but-3-enyl)pyridine-2-carboxylic acid CAS Name: 5-(4-hydroxyhepta-1,6-dien-4-yl)-2-pyridinecarboxylic acid IUPAC Name: 5-(4-hydroxyhepta-1,6-dien-4-yl)pyridine-2-carboxylic acid Traditional Name: 5-(1-allyl-1-hydroxy-but-3-enyl)picolinic acid Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(C1=CN=C(C=C1)C(=O)O)O

Isomeric SMILES

C=CCC(CC=C)(C1=CN=C(C=C1)C(=O)O)O

InChI

InChI=1S/C13H15NO3/c1-3-7-13(17,8-4-2)10-5-6-11(12(15)16)14-9-10/h3-6,9,17H,1-2,7-8H2,(H,15,16)