3-azanylpropane-1,2-diol; 2-(3-nitrophenyl)sulfanylethanol

Systemtic Name: 3-azanylpropane-1,2-diol; 2-(3-nitrophenyl)sulfanylethanol Openeye Name: 3-aminopropane-1,2-diol; 2-(3-nitrophenyl)sulfanylethanol CAS Name: 3-aminopropane-1,2-diol; 2-[(3-nitrophenyl)thio]ethanol IUPAC Name: 3-aminopropane-1,2-diol; 2-(3-nitrophenyl)sulfanylethanol Traditional Name: 3-aminopropane-1,2-diol; 2-[(3-nitrophenyl)thio]ethanol Formula: C11H18N2O5S MolecularWeight: 290.33602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCCO)[N+](=O)[O-].C(C(CO)O)N

Isomeric SMILES

C1=CC(=CC(=C1)SCCO)[N+](=O)[O-].C(C(CO)O)N

InChI

InChI=1S/C8H9NO3S.C3H9NO2/c10-4-5-13-8-3-1-2-7(6-8)9(11)12;4-1-3(6)2-5/h1-3,6,10H,4-5H2;3,5-6H,1-2,4H2