methylbenzene; 4-methylpentan-2-one; 2-methylpropanal

Systemtic Name: methylbenzene; 4-methylpentan-2-one; 2-methylpropanal Openeye Name: 4-methylpentan-2-one; 2-methylpropanal; toluene CAS Name: 4-methyl-2-pentanone; 2-methylpropanal; toluene IUPAC Name: 4-methylpentan-2-one; 2-methylpropanal; toluene Traditional Name: 4-methylpentan-2-one; 2-methylpropionaldehyde; toluene Formula: C17H28O2 MolecularWeight: 264.40302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.C6H12O.C4H8O/c1-7-5-3-2-4-6-7;1-5(2)4-6(3)7;1-4(2)3-5/h2-6H,1H3;5H,4H2,1-3H3;3-4H,1-2H3