dimethyl 2-nitro-5-sulfanyl-benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 2-nitro-5-sulfanyl-benzene-1,3-dicarboxylate Openeye Name: dimethyl 2-nitro-5-sulfanyl-benzene-1,3-dicarboxylate CAS Name: 5-mercapto-2-nitrobenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-nitro-5-sulfanylbenzene-1,3-dicarboxylate Traditional Name: 5-mercapto-2-nitro-benzene-1,3-dicarboxylic acid dimethyl ester Formula: C10H9NO6S MolecularWeight: 271.24656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1[N+](=O)[O-])C(=O)OC)S

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1[N+](=O)[O-])C(=O)OC)S

InChI

InChI=1S/C10H9NO6S/c1-16-9(12)6-3-5(18)4-7(10(13)17-2)8(6)11(14)15/h3-4,18H,1-2H3