2-nitro-2-(1-phenylsulfanylethyl)propane-1,3-diol

Systemtic Name: 2-nitro-2-(1-phenylsulfanylethyl)propane-1,3-diol Openeye Name: 2-nitro-2-(1-phenylsulfanylethyl)propane-1,3-diol CAS Name: 2-nitro-2-[1-(phenylthio)ethyl]propane-1,3-diol IUPAC Name: 2-nitro-2-(1-phenylsulfanylethyl)propane-1,3-diol Traditional Name: 2-nitro-2-[1-(phenylthio)ethyl]propane-1,3-diol Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CO)(CO)[N+](=O)[O-])SC1=CC=CC=C1

Isomeric SMILES

CC(C(CO)(CO)[N+](=O)[O-])SC1=CC=CC=C1

InChI

InChI=1S/C11H15NO4S/c1-9(11(7-13,8-14)12(15)16)17-10-5-3-2-4-6-10/h2-6,9,13-14H,7-8H2,1H3