2-[2-(3-nitro-4-oxidanyl-phenyl)sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(3-nitro-4-oxidanyl-phenyl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-hydroxy-3-nitro-phenyl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-hydroxy-3-nitrophenyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-hydroxy-3-nitrophenyl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-hydroxy-3-nitro-phenyl)thio]ethyl]isoindoline-1,3-quinone Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5S/c19-14-6-5-10(9-13(14)18(22)23)24-8-7-17-15(20)11-3-1-2-4-12(11)16(17)21/h1-6,9,19H,7-8H2