4-butanoyl-4-ethoxycarbonyl-heptanedioic acid

Systemtic Name: 4-butanoyl-4-ethoxycarbonyl-heptanedioic acid Openeye Name: 4-butanoyl-4-ethoxycarbonyl-heptanedioic acid CAS Name: 4-ethoxycarbonyl-4-(1-oxobutyl)heptanedioic acid IUPAC Name: 4-butanoyl-4-ethoxycarbonylheptanedioic acid Traditional Name: 4-butyryl-4-carbethoxy-pimelic acid Formula: C14H22O7 MolecularWeight: 302.32028

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CCC(=O)O)(CCC(=O)O)C(=O)OCC

Isomeric SMILES

CCCC(=O)C(CCC(=O)O)(CCC(=O)O)C(=O)OCC

InChI

InChI=1S/C14H22O7/c1-3-5-10(15)14(8-6-11(16)17,9-7-12(18)19)13(20)21-4-2/h3-9H2,1-2H3,(H,16,17)(H,18,19)