4-ethanoyl-4-prop-1-en-2-yl-heptanedioic acid

Systemtic Name: 4-ethanoyl-4-prop-1-en-2-yl-heptanedioic acid Openeye Name: 4-acetyl-4-isopropenyl-heptanedioic acid CAS Name: 4-acetyl-4-(1-methylethenyl)heptanedioic acid IUPAC Name: 4-acetyl-4-prop-1-en-2-ylheptanedioic acid Traditional Name: 4-acetyl-4-isopropenyl-pimelic acid Formula: C12H18O5 MolecularWeight: 242.26832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O5/c1-8(2)12(9(3)13,6-4-10(14)15)7-5-11(16)17/h1,4-7H2,2-3H3,(H,14,15)(H,16,17)