4,7-bis(oxidanylidene)-6-(1-oxidanyl-1-oxidanylidene-hexan-3-yl)oxy-1H-cyclohepta[b]pyridine-2-carboxylic acid

Systemtic Name: 4,7-bis(oxidanylidene)-6-(1-oxidanyl-1-oxidanylidene-hexan-3-yl)oxy-1H-cyclohepta[b]pyridine-2-carboxylic acid Openeye Name: 6-[1-(carboxymethyl)butoxy]-4,7-dioxo-1H-cyclohepta[b]pyridine-2-carboxylic acid CAS Name: 6-(1-hydroxy-1-oxohexan-3-yl)oxy-4,7-dioxo-1H-cyclohepta[b]pyridine-2-carboxylic acid IUPAC Name: 6-(1-hydroxy-1-oxohexan-3-yl)oxy-4,7-dioxo-1H-cyclohepta[b]pyridine-2-carboxylic acid Traditional Name: 6-[1-(carboxymethyl)butoxy]-4,7-diketo-1H-cyclohepta[b]pyridine-2-carboxylic acid Formula: C17H17NO7 MolecularWeight: 347.31938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)O)OC1=CC2=C(C=CC1=O)NC(=CC2=O)C(=O)O

Isomeric SMILES

CCCC(CC(=O)O)OC1=CC2=C(C=CC1=O)NC(=CC2=O)C(=O)O

InChI

InChI=1S/C17H17NO7/c1-2-3-9(6-16(21)22)25-15-7-10-11(4-5-13(15)19)18-12(17(23)24)8-14(10)20/h4-5,7-9H,2-3,6H2,1H3,(H,18,20)(H,21,22)(H,23,24)