2-hexylhexanedioate

Systemtic Name: 2-hexylhexanedioate Openeye Name: 2-hexylhexanedioate CAS Name: 2-hexylhexanedioate IUPAC Name: 2-hexylhexanedioate Traditional Name: 2-hexyladipate Formula: C12H20O4-2 MolecularWeight: 228.2848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCC(CCCC(=O)[O-])C(=O)[O-]

InChI

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