(4S)-4-(2-bromanylethanoyl)-4-ethoxycarbonyl-octanoate

Systemtic Name: (4S)-4-(2-bromanylethanoyl)-4-ethoxycarbonyl-octanoate Openeye Name: (4S)-4-(2-bromoacetyl)-4-ethoxycarbonyl-octanoate CAS Name: (4S)-4-(2-bromo-1-oxoethyl)-4-ethoxycarbonyloctanoate IUPAC Name: (4S)-4-(2-bromoacetyl)-4-ethoxycarbonyloctanoate Traditional Name: (4S)-4-(2-bromoacetyl)-4-carbethoxy-caprylate Formula: C13H20BrO5- MolecularWeight: 336.1989

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)[O-])(C(=O)CBr)C(=O)OCC

Isomeric SMILES

CCCC[C@](CCC(=O)[O-])(C(=O)CBr)C(=O)OCC

InChI

InChI=1S/C13H21BrO5/c1-3-5-7-13(10(15)9-14,8-6-11(16)17)12(18)19-4-2/h3-9H2,1-2H3,(H,16,17)/p-1/t13-/m0/s1