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

Systemtic Name: 4,4-dimethyl-2-(1-sulfanyloctyl)isoquinoline-1,3-dione Openeye Name: 4,4-dimethyl-2-(1-sulfanyloctyl)isoquinoline-1,3-dione CAS Name: 2-(1-mercaptooctyl)-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 4,4-dimethyl-2-(1-sulfanyloctyl)isoquinoline-1,3-dione Traditional Name: 2-(1-mercaptooctyl)-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C19H27NO2S MolecularWeight: 333.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(N1C(=O)C2=CC=CC=C2C(C1=O)(C)C)S

Isomeric SMILES

CCCCCCCC(N1C(=O)C2=CC=CC=C2C(C1=O)(C)C)S

InChI

InChI=1S/C19H27NO2S/c1-4-5-6-7-8-13-16(23)20-17(21)14-11-9-10-12-15(14)19(2,3)18(20)22/h9-12,16,23H,4-8,13H2,1-3H3