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

Systemtic Name: 2-[bis(6-methyl-2-oxidanyl-4-oxidanylidene-1H-pyridin-3-yl)methyl]benzoic acid Openeye Name: 2-[bis(2-hydroxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]benzoic acid CAS Name: 2-[bis(2-hydroxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]benzoic acid IUPAC Name: 2-[bis(2-hydroxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]benzoic acid Traditional Name: 2-[bis(2-hydroxy-4-keto-6-methyl-1H-pyridin-3-yl)methyl]benzoic acid Formula: C20H18N2O6 MolecularWeight: 382.36672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1)O)C(C2=CC=CC=C2C(=O)O)C3=C(NC(=CC3=O)C)O

Isomeric SMILES

CC1=CC(=O)C(=C(N1)O)C(C2=CC=CC=C2C(=O)O)C3=C(NC(=CC3=O)C)O

InChI

InChI=1S/C20H18N2O6/c1-9-7-13(23)16(18(25)21-9)15(11-5-3-4-6-12(11)20(27)28)17-14(24)8-10(2)22-19(17)26/h3-8,15H,1-2H3,(H,27,28)(H2,21,23,25)(H2,22,24,26)