(3S,3aR)-1-bromanyl-3a-butyl-6-oxidanyl-3-propyl-3,4-dihydrocyclopenta[a]inden-2-one

Systemtic Name: (3S,3aR)-1-bromanyl-3a-butyl-6-oxidanyl-3-propyl-3,4-dihydrocyclopenta[a]inden-2-one Openeye Name: (3S,3aR)-1-bromo-3a-butyl-6-hydroxy-3-propyl-3,4-dihydrocyclopenta[a]inden-2-one CAS Name: (3S,3aR)-1-bromo-3a-butyl-6-hydroxy-3-propyl-3,4-dihydrocyclopenta[a]inden-2-one IUPAC Name: (3S,3aR)-1-bromo-3a-butyl-6-hydroxy-3-propyl-3,4-dihydrocyclopenta[a]inden-2-one Traditional Name: (3S,3aR)-1-bromo-3a-butyl-6-hydroxy-3-propyl-3,4-dihydrocyclopent[a]inden-2-one Formula: C19H23BrO2 MolecularWeight: 363.28872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CC3=C(C1=C(C(=O)C2CCC)Br)C=CC(=C3)O

Isomeric SMILES

CCCC[C@]12CC3=C(C1=C(C(=O)[C@H]2CCC)Br)C=CC(=C3)O

InChI

InChI=1S/C19H23BrO2/c1-3-5-9-19-11-12-10-13(21)7-8-14(12)16(19)17(20)18(22)15(19)6-4-2/h7-8,10,15,21H,3-6,9,11H2,1-2H3/t15-,19-/m1/s1