2-(2,4,6-trinitrophenyl)sulfanylbenzenethiol

Systemtic Name: 2-(2,4,6-trinitrophenyl)sulfanylbenzenethiol Openeye Name: 2-(2,4,6-trinitrophenyl)sulfanylbenzenethiol CAS Name: 2-[(2,4,6-trinitrophenyl)thio]benzenethiol IUPAC Name: 2-(2,4,6-trinitrophenyl)sulfanylbenzenethiol Traditional Name: 2-(picrylthio)benzenethiol Formula: C12H7N3O6S2 MolecularWeight: 353.33048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7N3O6S2/c16-13(17)7-5-8(14(18)19)12(9(6-7)15(20)21)23-11-4-2-1-3-10(11)22/h1-6,22H