(2S,4R,5S,6S)-2-bromanyl-6-methyl-4,5-bis(phenylmethoxy)oxan-3-one

Systemtic Name: (2S,4R,5S,6S)-2-bromanyl-6-methyl-4,5-bis(phenylmethoxy)oxan-3-one Openeye Name: (2S,4R,5S,6S)-4,5-dibenzyloxy-2-bromo-6-methyl-tetrahydropyran-3-one CAS Name: (2S,4R,5S,6S)-2-bromo-6-methyl-4,5-bis(phenylmethoxy)-3-oxanone IUPAC Name: (2S,4R,5S,6S)-2-bromo-6-methyl-4,5-bis(phenylmethoxy)oxan-3-one Traditional Name: (2S,4R,5S,6S)-4,5-dibenzoxy-2-bromo-6-methyl-tetrahydropyran-3-one Formula: C20H21BrO4 MolecularWeight: 405.28234

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(=O)C(O1)Br)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1[C@@H]([C@H](C(=O)[C@@H](O1)Br)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H21BrO4/c1-14-18(23-12-15-8-4-2-5-9-15)19(17(22)20(21)25-14)24-13-16-10-6-3-7-11-16/h2-11,14,18-20H,12-13H2,1H3/t14-,18-,19-,20+/m0/s1