2-[bis(1,6-dimethyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl)methyl]benzoic acid

Systemtic Name: 2-[bis(1,6-dimethyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl)methyl]benzoic acid Openeye Name: 2-[bis(2-hydroxy-1,6-dimethyl-4-oxo-3-pyridyl)methyl]benzoic acid CAS Name: 2-[bis(2-hydroxy-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]benzoic acid IUPAC Name: 2-[bis(2-hydroxy-1,6-dimethyl-4-oxopyridin-3-yl)methyl]benzoic acid Traditional Name: 2-[bis(2-hydroxy-4-keto-1,6-dimethyl-3-pyridyl)methyl]benzoic acid Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1C)O)C(C2=CC=CC=C2C(=O)O)C3=C(N(C(=CC3=O)C)C)O

Isomeric SMILES

CC1=CC(=O)C(=C(N1C)O)C(C2=CC=CC=C2C(=O)O)C3=C(N(C(=CC3=O)C)C)O

InChI

InChI=1S/C22H22N2O6/c1-11-9-15(25)18(20(27)23(11)3)17(13-7-5-6-8-14(13)22(29)30)19-16(26)10-12(2)24(4)21(19)28/h5-10,17,27-28H,1-4H3,(H,29,30)