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

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(5-bromo-2-thienyl)-(4,4-dimethyl-2,6-dioxo-cyclohexyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(5-bromo-2-thiophenyl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(5-bromothiophen-2-yl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(5-bromo-2-thienyl)-(2,6-diketo-4,4-dimethyl-cyclohexyl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C21H25BrO4S MolecularWeight: 453.3898

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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=C(S3)Br)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=C(S3)Br)C

InChI

InChI=1S/C21H25BrO4S/c1-20(2)7-11(23)17(12(24)8-20)19(15-5-6-16(22)27-15)18-13(25)9-21(3,4)10-14(18)26/h5-6,17-19H,7-10H2,1-4H3