5-[6-[(E)-3-oxidanylundec-1-enyl]pyridin-2-yl]carbonylbenzene-1,3-dicarboxylic acid

Systemtic Name: 5-[6-[(E)-3-oxidanylundec-1-enyl]pyridin-2-yl]carbonylbenzene-1,3-dicarboxylic acid Openeye Name: 5-[6-[(E)-3-hydroxyundec-1-enyl]pyridine-2-carbonyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[6-[(E)-3-hydroxyundec-1-enyl]pyridine-2-carbonyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[6-[(E)-3-hydroxyundec-1-enyl]picolinoyl]isophthalic acid Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO6/c1-2-3-4-5-6-7-10-21(27)13-12-20-9-8-11-22(26-20)23(28)17-14-18(24(29)30)16-19(15-17)25(31)32/h8-9,11-16,21,27H,2-7,10H2,1H3,(H,29,30)(H,31,32)/b13-12+