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4,6-dicarboxy-2-ethyl-octanoate

4,6-dicarboxy-2-ethyl-octanoate

Systemtic Name:4,6-dicarboxy-2-ethyl-octanoate
Openeye Name:4,6-dicarboxy-2-ethyl-octanoate
CAS Name:4,6-dicarboxy-2-ethyloctanoate
IUPAC Name:4,6-dicarboxy-2-ethyloctanoate
Traditional Name:4,6-dicarboxy-2-ethyl-caprylate
Formula: C12H19O6-
MolecularWeight: 259.27566
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H20O6/c1-3-7(10(13)14)5-9(12(17)18)6-8(4-2)11(15)16/h7-9H,3-6H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/p-1


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