2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]-thiophen-2-yl-methyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]-thiophen-2-yl-methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(4,4-dimethyl-2,6-dioxo-cyclohexyl)-(2-thienyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-thiophen-2-ylmethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-thiophen-2-ylmethyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(2,6-diketo-4,4-dimethyl-cyclohexyl)-(2-thienyl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C21H26O4S MolecularWeight: 374.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=CS3)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=CS3)C

InChI

InChI=1S/C21H26O4S/c1-20(2)8-12(22)17(13(23)9-20)19(16-6-5-7-26-16)18-14(24)10-21(3,4)11-15(18)25/h5-7,17-19H,8-11H2,1-4H3