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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(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/c1-19-15-4-2-3-13(9-15)14(10-18)7-12-5-6-16-17(8-12)21-11-20-16/h2-6,8-10,14H,7,11H2,1H3/t14-/m1/s1