sodium; N-[3-(hydroxymethyl)phenyl]methanamide; 2-(iodanylmethyl)-4-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium; N-[3-(hydroxymethyl)phenyl]methanamide; 2-(iodanylmethyl)-4-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium; N-[3-(hydroxymethyl)phenyl]formamide; 2-(iodomethyl)-4-oxo-azetidine-1-sulfonate CAS Name: sodium; N-[3-(hydroxymethyl)phenyl]formamide; 2-(iodomethyl)-4-oxo-1-azetidinesulfonate IUPAC Name: sodium; N-[3-(hydroxymethyl)phenyl]formamide; 2-(iodomethyl)-4-oxoazetidine-1-sulfonate Traditional Name: sodium; 2-(iodomethyl)-4-keto-azetidine-1-sulfonate; N-(3-methylolphenyl)formamide Formula: C12H14IN2NaO6S MolecularWeight: 464.2086

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C1=O)S(=O)(=O)[O-])CI.C1=CC(=CC(=C1)NC=O)CO.[Na+]

Isomeric SMILES

C1C(N(C1=O)S(=O)(=O)[O-])CI.C1=CC(=CC(=C1)NC=O)CO.[Na+]

InChI

InChI=1S/C8H9NO2.C4H6INO4S.Na/c10-5-7-2-1-3-8(4-7)9-6-11;5-2-3-1-4(7)6(3)11(8,9)10;/h1-4,6,10H,5H2,(H,9,11);3H,1-2H2,(H,8,9,10);/q;;+1/p-1