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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)Br)C)C2=C(C3CCCCC3C2=O)O

Isomeric SMILES

CCC1=C(C(=CC(=C1)Br)C)C2=C(C3CCCCC3C2=O)O

InChI

InChI=1S/C18H21BrO2/c1-3-11-9-12(19)8-10(2)15(11)16-17(20)13-6-4-5-7-14(13)18(16)21/h8-9,13-14,20H,3-7H2,1-2H3