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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)propanal Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)propanal CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)propanal IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)propanal Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-p-phenetyl-propionaldehyde Formula: C18H18O4 MolecularWeight: 298.33312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[C@H](C=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18O4/c1-2-20-16-6-3-13(4-7-16)9-15(11-19)14-5-8-17-18(10-14)22-12-21-17/h3-8,10-11,15H,2,9,12H2,1H3/t15-/m1/s1