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

Systemtic Name: 2-(2,4,6-trinitrophenyl)sulfanylphenol Openeye Name: 2-(2,4,6-trinitrophenyl)sulfanylphenol CAS Name: 2-[(2,4,6-trinitrophenyl)thio]phenol IUPAC Name: 2-(2,4,6-trinitrophenyl)sulfanylphenol Traditional Name: 2-(picrylthio)phenol Formula: C12H7N3O7S MolecularWeight: 337.26488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7N3O7S/c16-10-3-1-2-4-11(10)23-12-8(14(19)20)5-7(13(17)18)6-9(12)15(21)22/h1-6,16H