2-[5-(carboxymethylsulfanyl)-2,4-dinitro-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[5-(carboxymethylsulfanyl)-2,4-dinitro-phenyl]sulfanylethanoic acid Openeye Name: 2-[5-(carboxymethylsulfanyl)-2,4-dinitro-phenyl]sulfanylacetic acid CAS Name: 2-[[5-(carboxymethylthio)-2,4-dinitrophenyl]thio]acetic acid IUPAC Name: 2-[5-(carboxymethylsulfanyl)-2,4-dinitrophenyl]sulfanylacetic acid Traditional Name: 2-[[5-(carboxymethylthio)-2,4-dinitro-phenyl]thio]acetic acid Formula: C10H8N2O8S2 MolecularWeight: 348.30912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O8S2/c13-9(14)3-21-7-2-8(22-4-10(15)16)6(12(19)20)1-5(7)11(17)18/h1-2H,3-4H2,(H,13,14)(H,15,16)