ethanoic acid; 2-pentylcyclopentan-1-one

Systemtic Name: ethanoic acid; 2-pentylcyclopentan-1-one Openeye Name: acetic acid; 2-pentylcyclopentanone CAS Name: acetic acid; 2-pentyl-1-cyclopentanone IUPAC Name: acetic acid; 2-pentylcyclopentan-1-one Traditional Name: acetic acid; 2-amylcyclopentanone Formula: C12H22O3 MolecularWeight: 214.30128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCCC1=O.CC(=O)O

Isomeric SMILES

CCCCCC1CCCC1=O.CC(=O)O

InChI

InChI=1S/C10H18O.C2H4O2/c1-2-3-4-6-9-7-5-8-10(9)11;1-2(3)4/h9H,2-8H2,1H3;1H3,(H,3,4)