2-[2-[2,5-bis(chloranyl)phenyl]sulfanylethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[2,5-bis(chloranyl)phenyl]sulfanylethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[(2,5-dichlorophenyl)thio]ethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-[(2,5-dichlorophenyl)thio]ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C16H10Cl2N2O4S MolecularWeight: 397.2326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCSC3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCSC3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C16H10Cl2N2O4S/c17-9-4-5-11(18)13(8-9)25-7-6-19-15(21)10-2-1-3-12(20(23)24)14(10)16(19)22/h1-5,8H,6-7H2