O-ethyl (4-methylsulfonyl-2-nitro-phenyl)sulfanylmethanethioate

Systemtic Name: O-ethyl (4-methylsulfonyl-2-nitro-phenyl)sulfanylmethanethioate Openeye Name: O-ethyl (4-methylsulfonyl-2-nitro-phenyl)sulfanylmethanethioate CAS Name: [(4-methylsulfonyl-2-nitrophenyl)thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl (4-methylsulfonyl-2-nitrophenyl)sulfanylmethanethioate Traditional Name: [(4-mesyl-2-nitro-phenyl)thio]methanethioic acid O-ethyl ester Formula: C10H11NO5S3 MolecularWeight: 321.39304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=S)SC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO5S3/c1-3-16-10(17)18-9-5-4-7(19(2,14)15)6-8(9)11(12)13/h4-6H,3H2,1-2H3