4-(2-bromanylethanoyl)-4-ethoxycarbonyl-octanoic acid

Systemtic Name: 4-(2-bromanylethanoyl)-4-ethoxycarbonyl-octanoic acid Openeye Name: 4-(2-bromoacetyl)-4-ethoxycarbonyl-octanoic acid CAS Name: 4-(2-bromo-1-oxoethyl)-4-ethoxycarbonyloctanoic acid IUPAC Name: 4-(2-bromoacetyl)-4-ethoxycarbonyloctanoic acid Traditional Name: 4-(2-bromoacetyl)-4-carbethoxy-caprylic acid Formula: C13H21BrO5 MolecularWeight: 337.20684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)O)(C(=O)CBr)C(=O)OCC

Isomeric SMILES

CCCCC(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)