2-oxidanyl-6-oxidanylidene-4-(phenylmethyl)-1H-pyridine-3-sulfonic acid

Systemtic Name: 2-oxidanyl-6-oxidanylidene-4-(phenylmethyl)-1H-pyridine-3-sulfonic acid Openeye Name: 4-benzyl-2-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid CAS Name: 2-hydroxy-6-oxo-4-(phenylmethyl)-1H-pyridine-3-sulfonic acid IUPAC Name: 4-benzyl-2-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid Traditional Name: 4-benzyl-2-hydroxy-6-keto-1H-pyridine-3-sulfonic acid Formula: C12H11NO5S MolecularWeight: 281.28444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=O)NC(=C2S(=O)(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=O)NC(=C2S(=O)(=O)O)O

InChI

InChI=1S/C12H11NO5S/c14-10-7-9(6-8-4-2-1-3-5-8)11(12(15)13-10)19(16,17)18/h1-5,7H,6H2,(H2,13,14,15)(H,16,17,18)