(2S)-2-(2-nitrophenyl)-2-propylsulfonyl-ethanenitrile

Systemtic Name: (2S)-2-(2-nitrophenyl)-2-propylsulfonyl-ethanenitrile Openeye Name: (2S)-2-(2-nitrophenyl)-2-propylsulfonyl-acetonitrile CAS Name: (2S)-2-(2-nitrophenyl)-2-propylsulfonylacetonitrile IUPAC Name: (2S)-2-(2-nitrophenyl)-2-propylsulfonylacetonitrile Traditional Name: (2S)-2-(2-nitrophenyl)-2-propylsulfonyl-acetonitrile Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C(C#N)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCS(=O)(=O)[C@H](C#N)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O4S/c1-2-7-18(16,17)11(8-12)9-5-3-4-6-10(9)13(14)15/h3-6,11H,2,7H2,1H3/t11-/m1/s1