sodium methyl 3-nitro-4-sulfanyl-benzoate

Systemtic Name: sodium methyl 3-nitro-4-sulfanyl-benzoate Openeye Name: sodium methyl 3-nitro-4-sulfanyl-benzoate CAS Name: sodium 4-mercapto-3-nitrobenzoic acid methyl ester IUPAC Name: sodium methyl 3-nitro-4-sulfanylbenzoate Traditional Name: sodium 4-mercapto-3-nitro-benzoic acid methyl ester Formula: C8H7NNaO4S+ MolecularWeight: 236.20025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO4S.Na/c1-13-8(10)5-2-3-7(14)6(4-5)9(11)12;/h2-4,14H,1H3;/q;+1