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

Systemtic Name: 2-[bis[1-(2-hydroxyethyl)-6-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]methyl]benzoic acid Openeye Name: 2-[bis[2-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-3-pyridyl]methyl]benzoic acid CAS Name: 2-[bis[2-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-3-pyridinyl]methyl]benzoic acid IUPAC Name: 2-[bis[2-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxopyridin-3-yl]methyl]benzoic acid Traditional Name: 2-[bis[2-hydroxy-1-(2-hydroxyethyl)-4-keto-6-methyl-3-pyridyl]methyl]benzoic acid Formula: C24H26N2O8 MolecularWeight: 470.47184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CCO)O)C(C2=CC=CC=C2C(=O)O)C3=C(N(C(=CC3=O)C)CCO)O

Isomeric SMILES

CC1=CC(=O)C(=C(N1CCO)O)C(C2=CC=CC=C2C(=O)O)C3=C(N(C(=CC3=O)C)CCO)O

InChI

InChI=1S/C24H26N2O8/c1-13-11-17(29)20(22(31)25(13)7-9-27)19(15-5-3-4-6-16(15)24(33)34)21-18(30)12-14(2)26(8-10-28)23(21)32/h3-6,11-12,19,27-28,31-32H,7-10H2,1-2H3,(H,33,34)