4-(1,3-benzodioxol-4-yl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanal

Systemtic Name: 4-(1,3-benzodioxol-4-yl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanal Openeye Name: 4-(1,3-benzodioxol-4-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal CAS Name: 4-(1,3-benzodioxol-4-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal IUPAC Name: 4-(1,3-benzodioxol-4-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal Traditional Name: 4-(1,3-benzodioxol-4-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)valeraldehyde Formula: C14H15F3O4 MolecularWeight: 304.26171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C=O)(C(F)(F)F)O)C1=C2C(=CC=C1)OCO2

Isomeric SMILES

CC(C)(CC(C=O)(C(F)(F)F)O)C1=C2C(=CC=C1)OCO2

InChI

InChI=1S/C14H15F3O4/c1-12(2,6-13(19,7-18)14(15,16)17)9-4-3-5-10-11(9)21-8-20-10/h3-5,7,19H,6,8H2,1-2H3