4-[3-(4-decoxyphenyl)-4-oxidanylidene-chromen-7-yl]-5-oxidanyl-pyridine-3-carboxylic acid

Systemtic Name: 4-[3-(4-decoxyphenyl)-4-oxidanylidene-chromen-7-yl]-5-oxidanyl-pyridine-3-carboxylic acid Openeye Name: 4-[3-(4-decoxyphenyl)-4-oxo-chromen-7-yl]-5-hydroxy-pyridine-3-carboxylic acid CAS Name: 4-[3-(4-decoxyphenyl)-4-oxo-1-benzopyran-7-yl]-5-hydroxy-3-pyridinecarboxylic acid IUPAC Name: 4-[3-(4-decoxyphenyl)-4-oxochromen-7-yl]-5-hydroxypyridine-3-carboxylic acid Traditional Name: 4-[3-(4-decoxyphenyl)-4-keto-chromen-7-yl]-5-hydroxy-nicotinic acid Formula: C31H33NO6 MolecularWeight: 515.59682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)C4=C(C=NC=C4C(=O)O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)C4=C(C=NC=C4C(=O)O)O

InChI

InChI=1S/C31H33NO6/c1-2-3-4-5-6-7-8-9-16-37-23-13-10-21(11-14-23)26-20-38-28-17-22(12-15-24(28)30(26)34)29-25(31(35)36)18-32-19-27(29)33/h10-15,17-20,33H,2-9,16H2,1H3,(H,35,36)