heptan-3-one; 1-phenylethanone

Systemtic Name: heptan-3-one; 1-phenylethanone Openeye Name: heptan-3-one; 1-phenylethanone CAS Name: 3-heptanone; 1-phenylethanone IUPAC Name: heptan-3-one; 1-phenylethanone Traditional Name: acetophenone; heptan-3-one Formula: C15H22O2 MolecularWeight: 234.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC.CC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCC(=O)CC.CC(=O)C1=CC=CC=C1

InChI

InChI=1S/C8H8O.C7H14O/c1-7(9)8-5-3-2-4-6-8;1-3-5-6-7(8)4-2/h2-6H,1H3;3-6H2,1-2H3