(2S)-3-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)propanal

Systemtic Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)propanal Openeye Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(p-tolyl)propanal CAS Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)propanal IUPAC Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)propanal Traditional Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(p-tolyl)propionaldehyde Formula: C17H16O3 MolecularWeight: 268.30714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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