disodium 2-butan-2-yl-5-ethyl-3-methyl-hexanedioate

Systemtic Name: disodium 2-butan-2-yl-5-ethyl-3-methyl-hexanedioate Openeye Name: disodium 5-ethyl-3-methyl-2-sec-butyl-hexanedioate CAS Name: disodium 2-butan-2-yl-5-ethyl-3-methylhexanedioate IUPAC Name: disodium 2-butan-2-yl-5-ethyl-3-methylhexanedioate Traditional Name: disodium 5-ethyl-3-methyl-2-sec-butyl-adipate Formula: C13H22Na2O4 MolecularWeight: 288.29092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(C)CC(CC)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCC(C)C(C(C)CC(CC)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C13H24O4.2Na/c1-5-8(3)11(13(16)17)9(4)7-10(6-2)12(14)15;;/h8-11H,5-7H2,1-4H3,(H,14,15)(H,16,17);;/q;2*+1/p-2