2-heptyl-3-methyl-butanedioate

Systemtic Name: 2-heptyl-3-methyl-butanedioate Openeye Name: 2-heptyl-3-methyl-butanedioate CAS Name: 2-heptyl-3-methylbutanedioate IUPAC Name: 2-heptyl-3-methylbutanedioate Traditional Name: 2-heptyl-3-methyl-succinate Formula: C12H20O4-2 MolecularWeight: 228.2848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCC(C(C)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H22O4/c1-3-4-5-6-7-8-10(12(15)16)9(2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16)/p-2