2-butyl-4,5,6,7-tetrahydroisoindole-1,3-dione hydrochloride

Systemtic Name: 2-butyl-4,5,6,7-tetrahydroisoindole-1,3-dione hydrochloride Openeye Name: 2-butyl-4,5,6,7-tetrahydroisoindole-1,3-dione hydrochloride CAS Name: 2-butyl-4,5,6,7-tetrahydroisoindole-1,3-dione hydrochloride IUPAC Name: 2-butyl-4,5,6,7-tetrahydroisoindole-1,3-dione hydrochloride Traditional Name: 2-butyl-4,5,6,7-tetrahydroisoindole-1,3-quinone hydrochloride Formula: C12H18ClNO2 MolecularWeight: 243.72982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)CCCC2.Cl

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)CCCC2.Cl

InChI

InChI=1S/C12H17NO2.ClH/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15;/h2-8H2,1H3;1H