4-ethanoyl-4-prop-2-enyl-heptanedioic acid

Systemtic Name: 4-ethanoyl-4-prop-2-enyl-heptanedioic acid Openeye Name: 4-acetyl-4-allyl-heptanedioic acid CAS Name: 4-acetyl-4-prop-2-enylheptanedioic acid IUPAC Name: 4-acetyl-4-prop-2-enylheptanedioic acid Traditional Name: 4-acetyl-4-allyl-pimelic acid Formula: C12H18O5 MolecularWeight: 242.26832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O5/c1-3-6-12(9(2)13,7-4-10(14)15)8-5-11(16)17/h3H,1,4-8H2,2H3,(H,14,15)(H,16,17)