3-(carboxymethylsulfanyl)-4-nitro-benzoic acid

Systemtic Name: 3-(carboxymethylsulfanyl)-4-nitro-benzoic acid Openeye Name: 3-(carboxymethylsulfanyl)-4-nitro-benzoic acid CAS Name: 3-(carboxymethylthio)-4-nitrobenzoic acid IUPAC Name: 3-(carboxymethylsulfanyl)-4-nitrobenzoic acid Traditional Name: 3-(carboxymethylthio)-4-nitro-benzoic acid Formula: C9H7NO6S MolecularWeight: 257.21998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)SCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)SCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H7NO6S/c11-8(12)4-17-7-3-5(9(13)14)1-2-6(7)10(15)16/h1-3H,4H2,(H,11,12)(H,13,14)