4-[(E)-7-oxidanyl-7-oxidanylidene-1-pyridin-3-yl-hept-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-7-oxidanyl-7-oxidanylidene-1-pyridin-3-yl-hept-1-enyl]benzoic acid Openeye Name: 4-[(E)-7-hydroxy-7-oxo-1-(3-pyridyl)hept-1-enyl]benzoic acid CAS Name: 4-[(E)-7-hydroxy-7-oxo-1-(3-pyridinyl)hept-1-enyl]benzoic acid IUPAC Name: 4-[(E)-7-hydroxy-7-oxo-1-pyridin-3-ylhept-1-enyl]benzoic acid Traditional Name: 4-[(E)-7-hydroxy-7-keto-1-(3-pyridyl)hept-1-enyl]benzoic acid Formula: C19H19NO4 MolecularWeight: 325.35846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=CCCCCC(=O)O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)/C(=C/CCCCC(=O)O)/C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H19NO4/c21-18(22)7-3-1-2-6-17(16-5-4-12-20-13-16)14-8-10-15(11-9-14)19(23)24/h4-6,8-13H,1-3,7H2,(H,21,22)(H,23,24)/b17-6+