2,6-dinitro-4-phenylsulfanyl-aniline

Systemtic Name: 2,6-dinitro-4-phenylsulfanyl-aniline Openeye Name: 2,6-dinitro-4-phenylsulfanyl-aniline CAS Name: 2,6-dinitro-4-(phenylthio)aniline IUPAC Name: 2,6-dinitro-4-phenylsulfanylaniline Traditional Name: [2,6-dinitro-4-(phenylthio)phenyl]amine Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O4S/c13-12-10(14(16)17)6-9(7-11(12)15(18)19)20-8-4-2-1-3-5-8/h1-7H,13H2