copper; quinolin-8-olate; 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: copper; quinolin-8-olate; 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: copper; quinolin-8-olate; 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: copper; 8-quinolinolate; 2-(trichloromethylthio)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: copper; quinolin-8-olate; 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: cupric; quinolin-8-olate; 2-(trichloromethylthio)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C27H20Cl3CuN3O4S MolecularWeight: 652.4354

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl.C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl.C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]

InChI

InChI=1S/C9H8Cl3NO2S.2C9H7NO.Cu/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15;2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-2,5-6H,3-4H2;2*1-6,11H;/q;;;+2/p-2