2-[2-[[3-(2-hydroxyethylsulfanyl)-5-nitro-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[[3-(2-hydroxyethylsulfanyl)-5-nitro-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[3-(2-hydroxyethylsulfanyl)-5-nitro-anilino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[3-(2-hydroxyethylthio)-5-nitroanilino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[3-(2-hydroxyethylsulfanyl)-5-nitroanilino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[3-(2-hydroxyethylthio)-5-nitro-anilino]-2-keto-ethyl]thio]acetic acid Formula: C12H14N2O6S2 MolecularWeight: 346.37936

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])SCCO)NC(=O)CSCC(=O)O

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])SCCO)NC(=O)CSCC(=O)O

InChI

InChI=1S/C12H14N2O6S2/c15-1-2-22-10-4-8(3-9(5-10)14(19)20)13-11(16)6-21-7-12(17)18/h3-5,15H,1-2,6-7H2,(H,13,16)(H,17,18)