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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C)(CC2=CC3=C(C=C2)OCO3)C=O

Isomeric SMILES

CC1=CC(=CC=C1)[C@](C)(CC2=CC3=C(C=C2)OCO3)C=O

InChI

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