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

Systemtic Name: 2-[2-nitro-4-(3-nitrophenyl)sulfonyl-phenyl]sulfanylethanol Openeye Name: 2-[2-nitro-4-(3-nitrophenyl)sulfonyl-phenyl]sulfanylethanol CAS Name: 2-[[2-nitro-4-(3-nitrophenyl)sulfonylphenyl]thio]ethanol IUPAC Name: 2-[2-nitro-4-(3-nitrophenyl)sulfonylphenyl]sulfanylethanol Traditional Name: 2-[[2-nitro-4-(3-nitrophenyl)sulfonyl-phenyl]thio]ethanol Formula: C14H12N2O7S2 MolecularWeight: 384.38428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O7S2/c17-6-7-24-14-5-4-12(9-13(14)16(20)21)25(22,23)11-3-1-2-10(8-11)15(18)19/h1-5,8-9,17H,6-7H2