benzene; methylbenzene; propan-2-one

Systemtic Name: benzene; methylbenzene; propan-2-one Openeye Name: acetone; benzene; toluene CAS Name: benzene; 2-propanone; toluene IUPAC Name: benzene; propan-2-one; toluene Traditional Name: acetone; benzene; toluene Formula: C16H20O MolecularWeight: 228.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC(=O)C.C1=CC=CC=C1

Isomeric SMILES

CC1=CC=CC=C1.CC(=O)C.C1=CC=CC=C1

InChI

InChI=1S/C7H8.C6H6.C3H6O/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-3(2)4/h2-6H,1H3;1-6H;1-2H3