2-[4-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]sulfanylethanol

Systemtic Name: 2-[4-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]sulfanylethanol Openeye Name: 2-[4-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]sulfanylethanol CAS Name: 2-[[4-[4-(2-hydroxyethylthio)-3-nitrophenyl]sulfonyl-2-nitrophenyl]thio]ethanol IUPAC Name: 2-[4-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]sulfonyl-2-nitrophenyl]sulfanylethanol Traditional Name: 2-[[4-[4-(2-hydroxyethylthio)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]thio]ethanol Formula: C16H16N2O8S3 MolecularWeight: 460.50184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)SCCO)[N+](=O)[O-])[N+](=O)[O-])SCCO

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)SCCO)[N+](=O)[O-])[N+](=O)[O-])SCCO

InChI

InChI=1S/C16H16N2O8S3/c19-5-7-27-15-3-1-11(9-13(15)17(21)22)29(25,26)12-2-4-16(28-8-6-20)14(10-12)18(23)24/h1-4,9-10,19-20H,5-8H2