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3-hexylhexanedioate

3-hexylhexanedioate

Systemtic Name:3-hexylhexanedioate
Openeye Name:3-hexylhexanedioate
CAS Name:3-hexylhexanedioate
IUPAC Name:3-hexylhexanedioate
Traditional Name:3-hexyladipate
Formula: C12H20O4-2
MolecularWeight: 228.2848
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H22O4/c1-2-3-4-5-6-10(9-12(15)16)7-8-11(13)14/h10H,2-9H2,1H3,(H,13,14)(H,15,16)/p-2


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