2-acetyloxy-2-phenyl-ethanoic acid; 2-heptylcyclopropan-1-one

Systemtic Name: 2-acetyloxy-2-phenyl-ethanoic acid; 2-heptylcyclopropan-1-one Openeye Name: 2-acetoxy-2-phenyl-acetic acid; 2-heptylcyclopropanone CAS Name: 2-acetyloxy-2-phenylacetic acid; 2-heptyl-1-cyclopropanone IUPAC Name: 2-acetyloxy-2-phenylacetic acid; 2-heptylcyclopropan-1-one Traditional Name: 2-acetoxy-2-phenyl-acetic acid; 2-heptylcyclopropanone Formula: C20H28O5 MolecularWeight: 348.43332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CC1=O.CC(=O)OC(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCC1CC1=O.CC(=O)OC(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C10H10O4.C10H18O/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8;1-2-3-4-5-6-7-9-8-10(9)11/h2-6,9H,1H3,(H,12,13);9H,2-8H2,1H3