1-phenylethanone; propan-2-ylbenzene

Systemtic Name: 1-phenylethanone; propan-2-ylbenzene Openeye Name: cumene; 1-phenylethanone CAS Name: cumene; 1-phenylethanone IUPAC Name: cumene; 1-phenylethanone Traditional Name: acetophenone; cumene Formula: C17H20O MolecularWeight: 240.3401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12.C8H8O/c1-8(2)9-6-4-3-5-7-9;1-7(9)8-5-3-2-4-6-8/h3-8H,1-2H3;2-6H,1H3