methyl (3R,5S,6R)-5-bromanyl-2,2,6-trimethyl-6-phenyl-oxane-3-carboxylate

Systemtic Name: methyl (3R,5S,6R)-5-bromanyl-2,2,6-trimethyl-6-phenyl-oxane-3-carboxylate Openeye Name: methyl (3R,5S,6R)-5-bromo-2,2,6-trimethyl-6-phenyl-tetrahydropyran-3-carboxylate CAS Name: (3R,5S,6R)-5-bromo-2,2,6-trimethyl-6-phenyl-3-oxanecarboxylic acid methyl ester IUPAC Name: methyl (3R,5S,6R)-5-bromo-2,2,6-trimethyl-6-phenyloxane-3-carboxylate Traditional Name: (3R,5S,6R)-5-bromo-2,2,6-trimethyl-6-phenyl-tetrahydropyran-3-carboxylic acid methyl ester Formula: C16H21BrO3 MolecularWeight: 341.24014

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(C(O1)(C)C2=CC=CC=C2)Br)C(=O)OC)C

Isomeric SMILES

C[C@]1([C@H](C[C@H](C(O1)(C)C)C(=O)OC)Br)C2=CC=CC=C2

InChI

InChI=1S/C16H21BrO3/c1-15(2)12(14(18)19-4)10-13(17)16(3,20-15)11-8-6-5-7-9-11/h5-9,12-13H,10H2,1-4H3/t12-,13-,16+/m0/s1