9-bromanylnonan-3-one; 3-oxidanylidenebutanoic acid

Systemtic Name: 9-bromanylnonan-3-one; 3-oxidanylidenebutanoic acid Openeye Name: 9-bromononan-3-one; 3-oxobutanoic acid CAS Name: 9-bromo-3-nonanone; 3-oxobutanoic acid IUPAC Name: 9-bromononan-3-one; 3-oxobutanoic acid Traditional Name: acetoacetic acid; 9-bromononan-3-one Formula: C13H23BrO4 MolecularWeight: 323.22332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CCCCCCBr.CC(=O)CC(=O)O

Isomeric SMILES

CCC(=O)CCCCCCBr.CC(=O)CC(=O)O

InChI

InChI=1S/C9H17BrO.C4H6O3/c1-2-9(11)7-5-3-4-6-8-10;1-3(5)2-4(6)7/h2-8H2,1H3;2H2,1H3,(H,6,7)