S-phenyl 3,5-dinitrobenzenecarbothioate

Systemtic Name: S-phenyl 3,5-dinitrobenzenecarbothioate Openeye Name: S-phenyl 3,5-dinitrobenzenecarbothioate CAS Name: 3,5-dinitrobenzenecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 3,5-dinitrobenzenecarbothioate Traditional Name: 3,5-dinitrothiobenzoic acid S-phenyl ester Formula: C13H8N2O5S MolecularWeight: 304.27802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N2O5S/c16-13(21-12-4-2-1-3-5-12)9-6-10(14(17)18)8-11(7-9)15(19)20/h1-8H