(2S)-2-(1,3-benzodioxol-5-yl)-2-methyl-3-(2-methylphenyl)propanal

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-methyl-3-(2-methylphenyl)propanal Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-methyl-3-(o-tolyl)propanal CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-methyl-3-(2-methylphenyl)propanal IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-methyl-3-(2-methylphenyl)propanal Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-methyl-3-(o-tolyl)propionaldehyde Formula: C18H18O3 MolecularWeight: 282.33372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C)(C=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1C[C@](C)(C=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18O3/c1-13-5-3-4-6-14(13)10-18(2,11-19)15-7-8-16-17(9-15)21-12-20-16/h3-9,11H,10,12H2,1-2H3/t18-/m1/s1