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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(3-methylphenyl)propanal Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(m-tolyl)propanal CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(3-methylphenyl)propanal IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(3-methylphenyl)propanal Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(m-tolyl)propionaldehyde Formula: C17H16O3 MolecularWeight: 268.30714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O3/c1-12-3-2-4-13(7-12)8-15(10-18)14-5-6-16-17(9-14)20-11-19-16/h2-7,9-10,15H,8,11H2,1H3/t15-/m1/s1