5-bromanyl-4-methyl-6-[2-[2-methyl-4-[(2-methylphenyl)methoxy]phenyl]ethyl]-4-oxidanyl-oxan-2-one

Systemtic Name: 5-bromanyl-4-methyl-6-[2-[2-methyl-4-[(2-methylphenyl)methoxy]phenyl]ethyl]-4-oxidanyl-oxan-2-one Openeye Name: 5-bromo-4-hydroxy-4-methyl-6-[2-[2-methyl-4-(o-tolylmethoxy)phenyl]ethyl]tetrahydropyran-2-one CAS Name: 5-bromo-4-hydroxy-4-methyl-6-[2-[2-methyl-4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2-oxanone IUPAC Name: 5-bromo-4-hydroxy-4-methyl-6-[2-[2-methyl-4-[(2-methylphenyl)methoxy]phenyl]ethyl]oxan-2-one Traditional Name: 5-bromo-4-hydroxy-4-methyl-6-[2-[2-methyl-4-(2-methylbenzyl)oxy-phenyl]ethyl]tetrahydropyran-2-one Formula: C23H27BrO4 MolecularWeight: 447.36208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=CC(=C(C=C2)CCC3C(C(CC(=O)O3)(C)O)Br)C

Isomeric SMILES

CC1=CC=CC=C1COC2=CC(=C(C=C2)CCC3C(C(CC(=O)O3)(C)O)Br)C

InChI

InChI=1S/C23H27BrO4/c1-15-6-4-5-7-18(15)14-27-19-10-8-17(16(2)12-19)9-11-20-22(24)23(3,26)13-21(25)28-20/h4-8,10,12,20,22,26H,9,11,13-14H2,1-3H3