2-nitro-4-(3-nitro-4-sulfanyl-phenyl)sulfonyl-benzenethiol

Systemtic Name: 2-nitro-4-(3-nitro-4-sulfanyl-phenyl)sulfonyl-benzenethiol Openeye Name: 2-nitro-4-(3-nitro-4-sulfanyl-phenyl)sulfonyl-benzenethiol CAS Name: 4-(4-mercapto-3-nitrophenyl)sulfonyl-2-nitrobenzenethiol IUPAC Name: 2-nitro-4-(3-nitro-4-sulfanylphenyl)sulfonylbenzenethiol Traditional Name: 4-(4-mercapto-3-nitro-phenyl)sulfonyl-2-nitro-benzenethiol Formula: C12H8N2O6S3 MolecularWeight: 372.39672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N2O6S3/c15-13(16)9-5-7(1-3-11(9)21)23(19,20)8-2-4-12(22)10(6-8)14(17)18/h1-6,21-22H