2,4-dinitro-5-phenylsulfanyl-aniline

Systemtic Name: 2,4-dinitro-5-phenylsulfanyl-aniline Openeye Name: 2,4-dinitro-5-phenylsulfanyl-aniline CAS Name: 2,4-dinitro-5-(phenylthio)aniline IUPAC Name: 2,4-dinitro-5-phenylsulfanylaniline Traditional Name: [2,4-dinitro-5-(phenylthio)phenyl]amine Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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