(2R,3S,5R)-6-(3-bromanyl-5-phenylmethoxy-phenyl)-3-methoxy-5-methyl-hexane-1,2-diol

Systemtic Name: (2R,3S,5R)-6-(3-bromanyl-5-phenylmethoxy-phenyl)-3-methoxy-5-methyl-hexane-1,2-diol Openeye Name: (2R,3S,5R)-6-(3-benzyloxy-5-bromo-phenyl)-3-methoxy-5-methyl-hexane-1,2-diol CAS Name: (2R,3S,5R)-6-(3-bromo-5-phenylmethoxyphenyl)-3-methoxy-5-methylhexane-1,2-diol IUPAC Name: (2R,3S,5R)-6-(3-bromo-5-phenylmethoxyphenyl)-3-methoxy-5-methylhexane-1,2-diol Traditional Name: (2R,3S,5R)-6-(3-benzoxy-5-bromo-phenyl)-3-methoxy-5-methyl-hexane-1,2-diol Formula: C21H27BrO4 MolecularWeight: 423.34068

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC(=C1)Br)OCC2=CC=CC=C2)CC(C(CO)O)OC

Isomeric SMILES

C[C@H](CC1=CC(=CC(=C1)Br)OCC2=CC=CC=C2)C[C@@H]([C@@H](CO)O)OC

InChI

InChI=1S/C21H27BrO4/c1-15(9-21(25-2)20(24)13-23)8-17-10-18(22)12-19(11-17)26-14-16-6-4-3-5-7-16/h3-7,10-12,15,20-21,23-24H,8-9,13-14H2,1-2H3/t15-,20-,21+/m1/s1