[(2S,5R)-6,6-diethoxy-5-(4-methoxyphenoxy)hexan-2-yl] 2-bromanylethanoate

Systemtic Name: [(2S,5R)-6,6-diethoxy-5-(4-methoxyphenoxy)hexan-2-yl] 2-bromanylethanoate Openeye Name: [(1S,4R)-5,5-diethoxy-4-(4-methoxyphenoxy)-1-methyl-pentyl] 2-bromoacetate CAS Name: 2-bromoacetic acid [(2S,5R)-6,6-diethoxy-5-(4-methoxyphenoxy)hexan-2-yl] ester IUPAC Name: [(2S,5R)-6,6-diethoxy-5-(4-methoxyphenoxy)hexan-2-yl] 2-bromoacetate Traditional Name: 2-bromoacetic acid [(1S,4R)-5,5-diethoxy-4-(4-methoxyphenoxy)-1-methyl-pentyl] ester Formula: C19H29BrO6 MolecularWeight: 433.33396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(CCC(C)OC(=O)CBr)OC1=CC=C(C=C1)OC)OCC

Isomeric SMILES

CCOC([C@@H](CC[C@H](C)OC(=O)CBr)OC1=CC=C(C=C1)OC)OCC

InChI

InChI=1S/C19H29BrO6/c1-5-23-19(24-6-2)17(12-7-14(3)25-18(21)13-20)26-16-10-8-15(22-4)9-11-16/h8-11,14,17,19H,5-7,12-13H2,1-4H3/t14-,17+/m0/s1