[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,4,6-tris(chloranyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,4,6-tris(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3,4,6-trichlorobenzothiophene-2-carboxylate CAS Name: 3,4,6-trichloro-1-benzothiophene-2-carboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3,4,6-trichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,4,6-trichlorobenzothiophene-2-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H19Cl3O3S MolecularWeight: 457.79776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=C(C5=C(C=C(C=C5S4)Cl)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=C(C5=C(C=C(C=C5S4)Cl)Cl)Cl

InChI

InChI=1S/C21H19Cl3O3S/c22-13-4-14(23)17-15(5-13)28-19(18(17)24)20(26)27-9-16(25)21-6-10-1-11(7-21)3-12(2-10)8-21/h4-5,10-12H,1-3,6-9H2