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

Systemtic Name: sodium; N-[3-(hydroxymethyl)phenyl]methanamide; 3-methoxy-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium; N-[3-(hydroxymethyl)phenyl]formamide; 3-methoxy-2-oxo-azetidine-1-sulfonate CAS Name: sodium; N-[3-(hydroxymethyl)phenyl]formamide; 3-methoxy-2-oxo-1-azetidinesulfonate IUPAC Name: sodium; N-[3-(hydroxymethyl)phenyl]formamide; 3-methoxy-2-oxoazetidine-1-sulfonate Traditional Name: sodium; 2-keto-3-methoxy-azetidine-1-sulfonate; N-(3-methylolphenyl)formamide Formula: C12H15N2NaO7S MolecularWeight: 354.31147

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(C1=O)S(=O)(=O)[O-].C1=CC(=CC(=C1)NC=O)CO.[Na+]

Isomeric SMILES

COC1CN(C1=O)S(=O)(=O)[O-].C1=CC(=CC(=C1)NC=O)CO.[Na+]

InChI

InChI=1S/C8H9NO2.C4H7NO5S.Na/c10-5-7-2-1-3-8(4-7)9-6-11;1-10-3-2-5(4(3)6)11(7,8)9;/h1-4,6,10H,5H2,(H,9,11);3H,2H2,1H3,(H,7,8,9);/q;;+1/p-1