2-(2,3-dinitrophenyl)ethanethioic S-acid

Systemtic Name: 2-(2,3-dinitrophenyl)ethanethioic S-acid Openeye Name: 2-(2,3-dinitrophenyl)ethanethioic S-acid CAS Name: 2-(2,3-dinitrophenyl)ethanethioic S-acid IUPAC Name: 2-(2,3-dinitrophenyl)ethanethioic S-acid Traditional Name: 2-(2,3-dinitrophenyl)thioacetic acid Formula: C8H6N2O5S MolecularWeight: 242.20864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N2O5S/c11-7(16)4-5-2-1-3-6(9(12)13)8(5)10(14)15/h1-3H,4H2,(H,11,16)