(4S,5R)-2-bromanyl-3-[(3,4-dimethoxyphenyl)methoxymethyl]-4-ethenyl-4,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: (4S,5R)-2-bromanyl-3-[(3,4-dimethoxyphenyl)methoxymethyl]-4-ethenyl-4,5-dimethyl-cyclohex-2-en-1-one Openeye Name: (4S,5R)-2-bromo-3-[(3,4-dimethoxyphenyl)methoxymethyl]-4,5-dimethyl-4-vinyl-cyclohex-2-en-1-one CAS Name: (4S,5R)-2-bromo-3-[(3,4-dimethoxyphenyl)methoxymethyl]-4-ethenyl-4,5-dimethyl-1-cyclohex-2-enone IUPAC Name: (4S,5R)-2-bromo-3-[(3,4-dimethoxyphenyl)methoxymethyl]-4-ethenyl-4,5-dimethylcyclohex-2-en-1-one Traditional Name: (4S,5R)-2-bromo-4,5-dimethyl-3-(veratryloxymethyl)-4-vinyl-cyclohex-2-en-1-one Formula: C20H25BrO4 MolecularWeight: 409.3141

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(=C(C1(C)C=C)COCC2=CC(=C(C=C2)OC)OC)Br

Isomeric SMILES

C[C@@H]1CC(=O)C(=C([C@@]1(C)C=C)COCC2=CC(=C(C=C2)OC)OC)Br

InChI

InChI=1S/C20H25BrO4/c1-6-20(3)13(2)9-16(22)19(21)15(20)12-25-11-14-7-8-17(23-4)18(10-14)24-5/h6-8,10,13H,1,9,11-12H2,2-5H3/t13-,20+/m1/s1