5-bromanyl-4-methyl-4-oxidanyl-6-(4-phenylmethoxyphenyl)oxan-2-one

Systemtic Name: 5-bromanyl-4-methyl-4-oxidanyl-6-(4-phenylmethoxyphenyl)oxan-2-one Openeye Name: 6-(4-benzyloxyphenyl)-5-bromo-4-hydroxy-4-methyl-tetrahydropyran-2-one CAS Name: 5-bromo-4-hydroxy-4-methyl-6-(4-phenylmethoxyphenyl)-2-oxanone IUPAC Name: 5-bromo-4-hydroxy-4-methyl-6-(4-phenylmethoxyphenyl)oxan-2-one Traditional Name: 6-(4-benzoxyphenyl)-5-bromo-4-hydroxy-4-methyl-tetrahydropyran-2-one Formula: C19H19BrO4 MolecularWeight: 391.25576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)OC(C1Br)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CC1(CC(=O)OC(C1Br)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C19H19BrO4/c1-19(22)11-16(21)24-17(18(19)20)14-7-9-15(10-8-14)23-12-13-5-3-2-4-6-13/h2-10,17-18,22H,11-12H2,1H3