3-[oxidanyl-[6-[(E)-3-oxidanylundec-1-enyl]pyridin-2-yl]methyl]benzoic acid

Systemtic Name: 3-[oxidanyl-[6-[(E)-3-oxidanylundec-1-enyl]pyridin-2-yl]methyl]benzoic acid Openeye Name: 3-[hydroxy-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridyl]methyl]benzoic acid CAS Name: 3-[hydroxy-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]methyl]benzoic acid IUPAC Name: 3-[hydroxy-[6-[(E)-3-hydroxyundec-1-enyl]pyridin-2-yl]methyl]benzoic acid Traditional Name: 3-[hydroxy-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridyl]methyl]benzoic acid Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC1=NC(=CC=C1)C(C2=CC=CC(=C2)C(=O)O)O)O

Isomeric SMILES

CCCCCCCCC(/C=C/C1=NC(=CC=C1)C(C2=CC=CC(=C2)C(=O)O)O)O

InChI

InChI=1S/C24H31NO4/c1-2-3-4-5-6-7-13-21(26)16-15-20-12-9-14-22(25-20)23(27)18-10-8-11-19(17-18)24(28)29/h8-12,14-17,21,23,26-27H,2-7,13H2,1H3,(H,28,29)/b16-15+