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butane-2,3-dione; octanedioate

butane-2,3-dione; octanedioate

Systemtic Name:butane-2,3-dione; octanedioate
Openeye Name:butane-2,3-dione; octanedioate
CAS Name:butane-2,3-dione; octanedioate
IUPAC Name:butane-2,3-dione; octanedioate
Traditional Name:biacetyl; suberate
Formula: C12H18O6-2
MolecularWeight: 258.26772
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=O)C.C(CCCC(=O)[O-])CCC(=O)[O-]


Isomeric SMILES

CC(=O)C(=O)C.C(CCCC(=O)[O-])CCC(=O)[O-]


InChI

InChI=1S/C8H14O4.C4H6O2/c9-7(10)5-3-1-2-4-6-8(11)12;1-3(5)4(2)6/h1-6H2,(H,9,10)(H,11,12);1-2H3/p-2


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