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

Systemtic Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)propanal Openeye Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)propanal CAS Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)propanal IUPAC Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)propanal Traditional Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)propionaldehyde Formula: C17H16O4 MolecularWeight: 284.30654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CC2=CC3=C(C=C2)OCO3)C=O

Isomeric SMILES

COC1=CC=CC=C1[C@H](CC2=CC3=C(C=C2)OCO3)C=O

InChI

InChI=1S/C17H16O4/c1-19-15-5-3-2-4-14(15)13(10-18)8-12-6-7-16-17(9-12)21-11-20-16/h2-7,9-10,13H,8,11H2,1H3/t13-/m1/s1