cyclohexane; methylbenzene; 4-methylpentan-2-one

Systemtic Name: cyclohexane; methylbenzene; 4-methylpentan-2-one Openeye Name: cyclohexane; 4-methylpentan-2-one; toluene CAS Name: cyclohexane; 4-methyl-2-pentanone; toluene IUPAC Name: cyclohexane; 4-methylpentan-2-one; toluene Traditional Name: cyclohexane; 4-methylpentan-2-one; toluene Formula: C19H32O MolecularWeight: 276.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC(C)CC(=O)C.C1CCCCC1

Isomeric SMILES

CC1=CC=CC=C1.CC(C)CC(=O)C.C1CCCCC1

InChI

InChI=1S/C7H8.C6H12O.C6H12/c1-7-5-3-2-4-6-7;1-5(2)4-6(3)7;1-2-4-6-5-3-1/h2-6H,1H3;5H,4H2,1-3H3;1-6H2