2-(4-bromanyl-2,6-dimethyl-phenyl)-7-methyl-3-oxidanyl-3a,4,5,6,7,7a-hexahydroinden-1-one

Systemtic Name: 2-(4-bromanyl-2,6-dimethyl-phenyl)-7-methyl-3-oxidanyl-3a,4,5,6,7,7a-hexahydroinden-1-one Openeye Name: 2-(4-bromo-2,6-dimethyl-phenyl)-3-hydroxy-7-methyl-3a,4,5,6,7,7a-hexahydroinden-1-one CAS Name: 2-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-7-methyl-3a,4,5,6,7,7a-hexahydroinden-1-one IUPAC Name: 2-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-7-methyl-3a,4,5,6,7,7a-hexahydroinden-1-one Traditional Name: 2-(4-bromo-2,6-dimethyl-phenyl)-3-hydroxy-7-methyl-3a,4,5,6,7,7a-hexahydroinden-1-one Formula: C18H21BrO2 MolecularWeight: 349.26214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2C1C(=O)C(=C2O)C3=C(C=C(C=C3C)Br)C

Isomeric SMILES

CC1CCCC2C1C(=O)C(=C2O)C3=C(C=C(C=C3C)Br)C

InChI

InChI=1S/C18H21BrO2/c1-9-5-4-6-13-15(9)18(21)16(17(13)20)14-10(2)7-12(19)8-11(14)3/h7-9,13,15,20H,4-6H2,1-3H3