4-(2-bromanylethanoyl)-4-ethoxycarbonyl-7-methyl-octanoic acid

Systemtic Name: 4-(2-bromanylethanoyl)-4-ethoxycarbonyl-7-methyl-octanoic acid Openeye Name: 4-(2-bromoacetyl)-4-ethoxycarbonyl-7-methyl-octanoic acid CAS Name: 4-(2-bromo-1-oxoethyl)-4-ethoxycarbonyl-7-methyloctanoic acid IUPAC Name: 4-(2-bromoacetyl)-4-ethoxycarbonyl-7-methyloctanoic acid Traditional Name: 4-(2-bromoacetyl)-4-carbethoxy-7-methyl-caprylic acid Formula: C14H23BrO5 MolecularWeight: 351.23342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(C)C)(CCC(=O)O)C(=O)CBr

Isomeric SMILES

CCOC(=O)C(CCC(C)C)(CCC(=O)O)C(=O)CBr

InChI

InChI=1S/C14H23BrO5/c1-4-20-13(19)14(11(16)9-15,7-5-10(2)3)8-6-12(17)18/h10H,4-9H2,1-3H3,(H,17,18)