(3S)-4-(2,5-dimethoxyphenyl)-3-methyl-3-oxidanyl-butanal

Systemtic Name: (3S)-4-(2,5-dimethoxyphenyl)-3-methyl-3-oxidanyl-butanal Openeye Name: (3S)-4-(2,5-dimethoxyphenyl)-3-hydroxy-3-methyl-butanal CAS Name: (3S)-4-(2,5-dimethoxyphenyl)-3-hydroxy-3-methylbutanal IUPAC Name: (3S)-4-(2,5-dimethoxyphenyl)-3-hydroxy-3-methylbutanal Traditional Name: (3S)-4-(2,5-dimethoxyphenyl)-3-hydroxy-3-methyl-butyraldehyde Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=O)(CC1=C(C=CC(=C1)OC)OC)O

Isomeric SMILES

C[C@@](CC=O)(CC1=C(C=CC(=C1)OC)OC)O

InChI

InChI=1S/C13H18O4/c1-13(15,6-7-14)9-10-8-11(16-2)4-5-12(10)17-3/h4-5,7-8,15H,6,9H2,1-3H3/t13-/m1/s1