2-[(3,5-dimethoxyphenyl)methyl]-2-prop-2-enyl-propanedioic acid

Systemtic Name: 2-[(3,5-dimethoxyphenyl)methyl]-2-prop-2-enyl-propanedioic acid Openeye Name: 2-allyl-2-[(3,5-dimethoxyphenyl)methyl]propanedioic acid CAS Name: 2-[(3,5-dimethoxyphenyl)methyl]-2-prop-2-enylpropanedioic acid IUPAC Name: 2-[(3,5-dimethoxyphenyl)methyl]-2-prop-2-enylpropanedioic acid Traditional Name: 2-allyl-2-(3,5-dimethoxybenzyl)malonic acid Formula: C15H18O6 MolecularWeight: 294.29982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CC(CC=C)(C(=O)O)C(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CC(CC=C)(C(=O)O)C(=O)O)OC

InChI

InChI=1S/C15H18O6/c1-4-5-15(13(16)17,14(18)19)9-10-6-11(20-2)8-12(7-10)21-3/h4,6-8H,1,5,9H2,2-3H3,(H,16,17)(H,18,19)