5,5-dimethyl-2-(9H-thioxanthen-9-yl)cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-(9H-thioxanthen-9-yl)cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-(9H-thioxanthen-9-yl)cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-(9H-thioxanthen-9-yl)cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-(9H-thioxanthen-9-yl)cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-(9H-thioxanthen-9-yl)cyclohexane-1,3-quinone Formula: C21H20O2S MolecularWeight: 336.4473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C2C3=CC=CC=C3SC4=CC=CC=C24)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C2C3=CC=CC=C3SC4=CC=CC=C24)C

InChI

InChI=1S/C21H20O2S/c1-21(2)11-15(22)20(16(23)12-21)19-13-7-3-5-9-17(13)24-18-10-6-4-8-14(18)19/h3-10,19-20H,11-12H2,1-2H3