5-bromanyl-4-methyl-4-oxidanyl-6-phenethyl-oxan-2-one

Systemtic Name: 5-bromanyl-4-methyl-4-oxidanyl-6-phenethyl-oxan-2-one Openeye Name: 5-bromo-4-hydroxy-4-methyl-6-phenethyl-tetrahydropyran-2-one CAS Name: 5-bromo-4-hydroxy-4-methyl-6-phenethyl-2-oxanone IUPAC Name: 5-bromo-4-hydroxy-4-methyl-6-phenethyloxan-2-one Traditional Name: 5-bromo-4-hydroxy-4-methyl-6-phenethyl-tetrahydropyran-2-one Formula: C14H17BrO3 MolecularWeight: 313.18698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)OC(C1Br)CCC2=CC=CC=C2)O

Isomeric SMILES

CC1(CC(=O)OC(C1Br)CCC2=CC=CC=C2)O

InChI

InChI=1S/C14H17BrO3/c1-14(17)9-12(16)18-11(13(14)15)8-7-10-5-3-2-4-6-10/h2-6,11,13,17H,7-9H2,1H3