bis(3-nitro-4-sulfanyl-phenyl)methanone

Systemtic Name: bis(3-nitro-4-sulfanyl-phenyl)methanone Openeye Name: bis(3-nitro-4-sulfanyl-phenyl)methanone CAS Name: bis(4-mercapto-3-nitrophenyl)methanone IUPAC Name: bis(3-nitro-4-sulfanylphenyl)methanone Traditional Name: bis(4-mercapto-3-nitro-phenyl)methanone Formula: C13H8N2O5S2 MolecularWeight: 336.34302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)S)[N+](=O)[O-])[N+](=O)[O-])S

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)S)[N+](=O)[O-])[N+](=O)[O-])S

InChI

InChI=1S/C13H8N2O5S2/c16-13(7-1-3-11(21)9(5-7)14(17)18)8-2-4-12(22)10(6-8)15(19)20/h1-6,21-22H