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

Systemtic Name: sodium; 2-(aminocarbonyloxymethyl)-4-oxidanylidene-azetidine-1-sulfonate; N-[3-(hydroxymethyl)phenyl]methanamide; hydrate Openeye Name: sodium; 2-(carbamoyloxymethyl)-4-oxo-azetidine-1-sulfonate; N-[3-(hydroxymethyl)phenyl]formamide; hydrate CAS Name: sodium; 2-(carbamoyloxymethyl)-4-oxo-1-azetidinesulfonate; N-[3-(hydroxymethyl)phenyl]formamide; hydrate IUPAC Name: sodium; 2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonate; N-[3-(hydroxymethyl)phenyl]formamide; hydrate Traditional Name: sodium; 2-(carbamoyloxymethyl)-4-keto-azetidine-1-sulfonate; N-(3-methylolphenyl)formamide; hydrate Formula: C13H18N3NaO9S MolecularWeight: 415.35149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO2.C5H8N2O6S.Na.H2O/c10-5-7-2-1-3-8(4-7)9-6-11;6-5(9)13-2-3-1-4(8)7(3)14(10,11)12;;/h1-4,6,10H,5H2,(H,9,11);3H,1-2H2,(H2,6,9)(H,10,11,12);;1H2/q;;+1;/p-1