3-[5-(carboxymethylsulfanyl)-2,4-dinitro-phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[5-(carboxymethylsulfanyl)-2,4-dinitro-phenyl]sulfanylpropanoic acid Openeye Name: 3-[5-(carboxymethylsulfanyl)-2,4-dinitro-phenyl]sulfanylpropanoic acid CAS Name: 3-[[5-(carboxymethylthio)-2,4-dinitrophenyl]thio]propanoic acid IUPAC Name: 3-[5-(carboxymethylsulfanyl)-2,4-dinitrophenyl]sulfanylpropanoic acid Traditional Name: 3-[[5-(carboxymethylthio)-2,4-dinitro-phenyl]thio]propionic acid Formula: C11H10N2O8S2 MolecularWeight: 362.3357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O8S2/c14-10(15)1-2-22-8-4-9(23-5-11(16)17)7(13(20)21)3-6(8)12(18)19/h3-4H,1-2,5H2,(H,14,15)(H,16,17)