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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-2-methyl-propanal Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-2-methyl-propanal CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-2-methylpropanal IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-2-methylpropanal Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-2-methyl-propionaldehyde Formula: C18H18O4 MolecularWeight: 298.33312

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1OC)(C=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@@](CC1=CC=CC=C1OC)(C=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18O4/c1-18(11-19,10-13-5-3-4-6-15(13)20-2)14-7-8-16-17(9-14)22-12-21-16/h3-9,11H,10,12H2,1-2H3/t18-/m1/s1