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

Systemtic Name: 2-(4-bromanyl-2,6-dimethyl-phenyl)-5-methoxy-3-oxidanyl-3a,4,5,6,7,7a-hexahydroinden-1-one Openeye Name: 2-(4-bromo-2,6-dimethyl-phenyl)-3-hydroxy-5-methoxy-3a,4,5,6,7,7a-hexahydroinden-1-one CAS Name: 2-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-5-methoxy-3a,4,5,6,7,7a-hexahydroinden-1-one IUPAC Name: 2-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-5-methoxy-3a,4,5,6,7,7a-hexahydroinden-1-one Traditional Name: 2-(4-bromo-2,6-dimethyl-phenyl)-3-hydroxy-5-methoxy-3a,4,5,6,7,7a-hexahydroinden-1-one Formula: C18H21BrO3 MolecularWeight: 365.26154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=C(C3CC(CCC3C2=O)OC)O)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1C2=C(C3CC(CCC3C2=O)OC)O)C)Br

InChI

InChI=1S/C18H21BrO3/c1-9-6-11(19)7-10(2)15(9)16-17(20)13-5-4-12(22-3)8-14(13)18(16)21/h6-7,12-14,21H,4-5,8H2,1-3H3