4,4-di(propanoyl)heptanedioic acid

Systemtic Name: 4,4-di(propanoyl)heptanedioic acid Openeye Name: 4,4-di(propanoyl)heptanedioic acid CAS Name: 4,4-bis(1-oxopropyl)heptanedioic acid IUPAC Name: 4,4-di(propanoyl)heptanedioic acid Traditional Name: 4,4-dipropionylpimelic acid Formula: C13H20O6 MolecularWeight: 272.2943

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCC(=O)O)(CCC(=O)O)C(=O)CC

Isomeric SMILES

CCC(=O)C(CCC(=O)O)(CCC(=O)O)C(=O)CC

InChI

InChI=1S/C13H20O6/c1-3-9(14)13(10(15)4-2,7-5-11(16)17)8-6-12(18)19/h3-8H2,1-2H3,(H,16,17)(H,18,19)