2-octan-2-ylpropanedioic acid

Systemtic Name: 2-octan-2-ylpropanedioic acid Openeye Name: 2-(1-methylheptyl)propanedioic acid CAS Name: 2-octan-2-ylpropanedioic acid IUPAC Name: 2-octan-2-ylpropanedioic acid Traditional Name: 2-(1-methylheptyl)malonic acid Formula: C11H20O4 MolecularWeight: 216.2741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(C)C(C(=O)O)C(=O)O

InChI

InChI=1S/C11H20O4/c1-3-4-5-6-7-8(2)9(10(12)13)11(14)15/h8-9H,3-7H2,1-2H3,(H,12,13)(H,14,15)