disodium 2-hexylpropanedioate

Systemtic Name: disodium 2-hexylpropanedioate Openeye Name: disodium 2-hexylpropanedioate CAS Name: disodium 2-hexylpropanedioate IUPAC Name: disodium 2-hexylpropanedioate Traditional Name: disodium 2-hexylmalonate Formula: C9H14Na2O4 MolecularWeight: 233.177255

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCC[13CH2]C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C9H16O4.2Na/c1-2-3-4-5-6-7(8(10)11)9(12)13;;/h7H,2-6H2,1H3,(H,10,11)(H,12,13);;/q;2*+1/p-2/i6+1;;