(7-bromanyl-5-chloranyl-quinolin-8-yl) prop-2-enoate; 2-[1,1,2,2-tetrakis(chloranyl)ethylsulfanyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (7-bromanyl-5-chloranyl-quinolin-8-yl) prop-2-enoate; 2-[1,1,2,2-tetrakis(chloranyl)ethylsulfanyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (7-bromo-5-chloro-8-quinolyl) prop-2-enoate; 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-propenoic acid (7-bromo-5-chloro-8-quinolinyl) ester; 2-(1,1,2,2-tetrachloroethylthio)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (7-bromo-5-chloroquinolin-8-yl) prop-2-enoate; 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: acrylic acid (7-bromo-5-chloro-8-quinolyl) ester; 2-(1,1,2,2-tetrachloroethylthio)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C22H16BrCl5N2O4S MolecularWeight: 661.60744

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OC1=C(C=C(C2=C1N=CC=C2)Cl)Br.C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl

Isomeric SMILES

C=CC(=O)OC1=C(C=C(C2=C1N=CC=C2)Cl)Br.C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl

InChI

InChI=1S/C12H7BrClNO2.C10H9Cl4NO2S/c1-2-10(16)17-12-8(13)6-9(14)7-4-3-5-15-11(7)12;11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h2-6H,1H2;1-2,5-6,9H,3-4H2