1-[deuterio-methylsulfanyl-(phenylsulfonyl)methyl]-2-nitro-benzene

Systemtic Name: 1-[deuterio-methylsulfanyl-(phenylsulfonyl)methyl]-2-nitro-benzene Openeye Name: 1-(benzenesulfonyl-deuterio-methylsulfanyl-methyl)-2-nitro-benzene CAS Name: 1-[benzenesulfonyl-deuterio-(methylthio)methyl]-2-nitrobenzene IUPAC Name: 1-(benzenesulfonyl-deuterio-methylsulfanylmethyl)-2-nitrobenzene Traditional Name: 1-[besyl-deuterio-(methylthio)methyl]-2-nitro-benzene Formula: C14H13NO4S2 MolecularWeight: 324.393482

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C1=CC=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

[2H]C(C1=CC=CC=C1[N+](=O)[O-])(SC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H13NO4S2/c1-20-14(12-9-5-6-10-13(12)15(16)17)21(18,19)11-7-3-2-4-8-11/h2-10,14H,1H3/i14D