2-(4-butylsulfinylbutyl)-4,4-dimethyl-isoquinoline-1,3-dione

Systemtic Name: 2-(4-butylsulfinylbutyl)-4,4-dimethyl-isoquinoline-1,3-dione Openeye Name: 2-(4-butylsulfinylbutyl)-4,4-dimethyl-isoquinoline-1,3-dione CAS Name: 2-(4-butylsulfinylbutyl)-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 2-(4-butylsulfinylbutyl)-4,4-dimethylisoquinoline-1,3-dione Traditional Name: 2-(4-butylsulfinylbutyl)-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C19H27NO3S MolecularWeight: 349.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)CCCCN1C(=O)C2=CC=CC=C2C(C1=O)(C)C

Isomeric SMILES

CCCCS(=O)CCCCN1C(=O)C2=CC=CC=C2C(C1=O)(C)C

InChI

InChI=1S/C19H27NO3S/c1-4-5-13-24(23)14-9-8-12-20-17(21)15-10-6-7-11-16(15)19(2,3)18(20)22/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3