bis(2-hydroxyethyl)azanium; 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: bis(2-hydroxyethyl)azanium; 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: bis(2-hydroxyethyl)ammonium; 2-(4-nitrophenyl)sulfanylacetate CAS Name: bis(2-hydroxyethyl)ammonium; 2-[(4-nitrophenyl)thio]acetate IUPAC Name: bis(2-hydroxyethyl)azanium; 2-(4-nitrophenyl)sulfanylacetate Traditional Name: bis(2-hydroxyethyl)ammonium; 2-[(4-nitrophenyl)thio]acetate Formula: C12H18N2O6S MolecularWeight: 318.34612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)[O-].C(CO)[NH2+]CCO

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)[O-].C(CO)[NH2+]CCO

InChI

InChI=1S/C8H7NO4S.C4H11NO2/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13;6-3-1-5-2-4-7/h1-4H,5H2,(H,10,11);5-7H,1-4H2