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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(4-ethylphenyl)propanal Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(4-ethylphenyl)propanal CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(4-ethylphenyl)propanal IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(4-ethylphenyl)propanal Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(4-ethylphenyl)propionaldehyde Formula: C18H18O3 MolecularWeight: 282.33372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(C=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=CC=C(C=C1)C[C@H](C=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18O3/c1-2-13-3-5-14(6-4-13)9-16(11-19)15-7-8-17-18(10-15)21-12-20-17/h3-8,10-11,16H,2,9,12H2,1H3/t16-/m1/s1