4-(5-bromanyl-2-nitro-phenyl)sulfanyl-2-methoxy-1-nitro-benzene

Systemtic Name: 4-(5-bromanyl-2-nitro-phenyl)sulfanyl-2-methoxy-1-nitro-benzene Openeye Name: 4-(5-bromo-2-nitro-phenyl)sulfanyl-2-methoxy-1-nitro-benzene CAS Name: 4-[(5-bromo-2-nitrophenyl)thio]-2-methoxy-1-nitrobenzene IUPAC Name: 4-(5-bromo-2-nitrophenyl)sulfanyl-2-methoxy-1-nitrobenzene Traditional Name: 4-[(5-bromo-2-nitro-phenyl)thio]-2-methoxy-1-nitro-benzene Formula: C13H9BrN2O5S MolecularWeight: 385.18996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC2=C(C=CC(=C2)Br)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)SC2=C(C=CC(=C2)Br)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9BrN2O5S/c1-21-12-7-9(3-5-10(12)15(17)18)22-13-6-8(14)2-4-11(13)16(19)20/h2-7H,1H3