3-(1,3-benzodioxol-5-yl)-2-methyl-propanal; 3-(4-ethylphenyl)-2,2-dimethyl-propanal

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-propanal; 3-(4-ethylphenyl)-2,2-dimethyl-propanal Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-propanal; 3-(4-ethylphenyl)-2,2-dimethyl-propanal CAS Name: 3-(1,3-benzodioxol-5-yl)-2-methylpropanal; 3-(4-ethylphenyl)-2,2-dimethylpropanal IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-methylpropanal; 3-(4-ethylphenyl)-2,2-dimethylpropanal Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-propionaldehyde; 3-(4-ethylphenyl)-2,2-dimethyl-propionaldehyde Formula: C24H30O4 MolecularWeight: 382.4926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(C)(C)C=O.CC(CC1=CC2=C(C=C1)OCO2)C=O

Isomeric SMILES

CCC1=CC=C(C=C1)CC(C)(C)C=O.CC(CC1=CC2=C(C=C1)OCO2)C=O

InChI

InChI=1S/C13H18O.C11H12O3/c1-4-11-5-7-12(8-6-11)9-13(2,3)10-14;1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h5-8,10H,4,9H2,1-3H3;2-3,5-6,8H,4,7H2,1H3