(2S,3R,4R,6R)-6-bromanyl-3-oxidanyl-2-phenylmethoxy-4-(phenylmethoxymethyl)cyclohexan-1-one

Systemtic Name: (2S,3R,4R,6R)-6-bromanyl-3-oxidanyl-2-phenylmethoxy-4-(phenylmethoxymethyl)cyclohexan-1-one Openeye Name: (2S,3R,4R,6R)-2-benzyloxy-4-(benzyloxymethyl)-6-bromo-3-hydroxy-cyclohexanone CAS Name: (2S,3R,4R,6R)-6-bromo-3-hydroxy-2-phenylmethoxy-4-(phenylmethoxymethyl)-1-cyclohexanone IUPAC Name: (2S,3R,4R,6R)-6-bromo-3-hydroxy-2-phenylmethoxy-4-(phenylmethoxymethyl)cyclohexan-1-one Traditional Name: (2S,3R,4R,6R)-2-benzoxy-4-(benzoxymethyl)-6-bromo-3-hydroxy-cyclohexanone Formula: C21H23BrO4 MolecularWeight: 419.30892

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(=O)C1Br)OCC2=CC=CC=C2)O)COCC3=CC=CC=C3

Isomeric SMILES

C1[C@@H]([C@H]([C@@H](C(=O)[C@@H]1Br)OCC2=CC=CC=C2)O)COCC3=CC=CC=C3

InChI

InChI=1S/C21H23BrO4/c22-18-11-17(14-25-12-15-7-3-1-4-8-15)19(23)21(20(18)24)26-13-16-9-5-2-6-10-16/h1-10,17-19,21,23H,11-14H2/t17-,18-,19-,21+/m1/s1