2-[2-(2-fluorophenyl)sulfanylethyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(2-fluorophenyl)sulfanylethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(2-fluorophenyl)sulfanylethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[(2-fluorophenyl)thio]ethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(2-fluorophenyl)sulfanylethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-[(2-fluorophenyl)thio]ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C16H11FN2O4S MolecularWeight: 346.332943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)F)SCCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)F)SCCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11FN2O4S/c17-13-3-1-2-4-14(13)24-8-7-18-15(20)11-6-5-10(19(22)23)9-12(11)16(18)21/h1-6,9H,7-8H2