methylbenzene; 1-(4-methylphenyl)propan-2-one

Systemtic Name: methylbenzene; 1-(4-methylphenyl)propan-2-one Openeye Name: 1-(p-tolyl)propan-2-one; toluene CAS Name: 1-(4-methylphenyl)-2-propanone; toluene IUPAC Name: 1-(4-methylphenyl)propan-2-one; toluene Traditional Name: 1-(p-tolyl)acetone; toluene Formula: C66H76O MolecularWeight: 885.30904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O.8C7H8/c1-8-3-5-10(6-4-8)7-9(2)11;8*1-7-5-3-2-4-6-7/h3-6H,7H2,1-2H3;8*2-6H,1H3