(3S)-4-methyl-3-(2-methylphenyl)pentanal

Systemtic Name: (3S)-4-methyl-3-(2-methylphenyl)pentanal Openeye Name: (3S)-4-methyl-3-(o-tolyl)pentanal CAS Name: (3S)-4-methyl-3-(2-methylphenyl)pentanal IUPAC Name: (3S)-4-methyl-3-(2-methylphenyl)pentanal Traditional Name: (3S)-4-methyl-3-(o-tolyl)valeraldehyde Formula: C13H18O MolecularWeight: 190.28142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC=O)C(C)C

Isomeric SMILES

CC1=CC=CC=C1[C@@H](CC=O)C(C)C

InChI

InChI=1S/C13H18O/c1-10(2)12(8-9-14)13-7-5-4-6-11(13)3/h4-7,9-10,12H,8H2,1-3H3/t12-/m0/s1