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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC2=CC3=C(C=C2)OCO3)C=O

Isomeric SMILES

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

InChI

InChI=1S/C17H16O3/c1-12-4-2-3-5-15(12)14(10-18)8-13-6-7-16-17(9-13)20-11-19-16/h2-7,9-10,14H,8,11H2,1H3/t14-/m1/s1