sodium 2-[5-(diphenylmethyl)oxy-2-(hydroxymethyl)-4-oxidanylidene-pyridin-1-yl]ethanesulfonate

Systemtic Name: sodium 2-[5-(diphenylmethyl)oxy-2-(hydroxymethyl)-4-oxidanylidene-pyridin-1-yl]ethanesulfonate Openeye Name: sodium 2-[5-benzhydryloxy-2-(hydroxymethyl)-4-oxo-1-pyridyl]ethanesulfonate CAS Name: sodium 2-[5-(diphenylmethyl)oxy-2-(hydroxymethyl)-4-oxo-1-pyridinyl]ethanesulfonate IUPAC Name: sodium 2-[5-benzhydryloxy-2-(hydroxymethyl)-4-oxopyridin-1-yl]ethanesulfonate Traditional Name: sodium 2-(5-benzhydryloxy-4-keto-2-methylol-1-pyridyl)ethanesulfonate Formula: C21H20NNaO6S MolecularWeight: 437.44137

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC3=CN(C(=CC3=O)CO)CCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC3=CN(C(=CC3=O)CO)CCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H21NO6S.Na/c23-15-18-13-19(24)20(14-22(18)11-12-29(25,26)27)28-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17;/h1-10,13-14,21,23H,11-12,15H2,(H,25,26,27);/q;+1/p-1