decanedioate; 2-ethylhexanoic acid

Systemtic Name: decanedioate; 2-ethylhexanoic acid Openeye Name: decanedioate; 2-ethylhexanoic acid CAS Name: decanedioate; 2-ethylhexanoic acid IUPAC Name: decanedioate; 2-ethylhexanoic acid Traditional Name: 2-ethylhexanoic acid; sebacate Formula: C18H32O6-2 MolecularWeight: 344.44308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)O.C(CCCCC(=O)[O-])CCCC(=O)[O-]

Isomeric SMILES

CCCCC(CC)C(=O)O.C(CCCCC(=O)[O-])CCCC(=O)[O-]

InChI

InChI=1S/C10H18O4.C8H16O2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-3-5-6-7(4-2)8(9)10/h1-8H2,(H,11,12)(H,13,14);7H,3-6H2,1-2H3,(H,9,10)/p-2