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

Systemtic Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(3-chlorophenyl)propanal Openeye Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(3-chlorophenyl)propanal CAS Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(3-chlorophenyl)propanal IUPAC Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(3-chlorophenyl)propanal Traditional Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(3-chlorophenyl)propionaldehyde Formula: C16H13ClO3 MolecularWeight: 288.72562

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(C=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[C@H](C=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H13ClO3/c17-14-3-1-2-12(8-14)13(9-18)6-11-4-5-15-16(7-11)20-10-19-15/h1-5,7-9,13H,6,10H2/t13-/m1/s1