methylbenzene; 3-methylbutanal

Systemtic Name: methylbenzene; 3-methylbutanal Openeye Name: 3-methylbutanal; toluene CAS Name: 3-methylbutanal; toluene IUPAC Name: 3-methylbutanal; toluene Traditional Name: 3-methylbutyraldehyde; toluene Formula: C12H18O MolecularWeight: 178.27072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.C5H10O/c1-7-5-3-2-4-6-7;1-5(2)3-4-6/h2-6H,1H3;4-5H,3H2,1-2H3