(Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethylphenyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethylphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethylphenyl)-4-oxo-but-2-enoic acid CAS Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethylphenyl)-4-oxo-2-butenoic acid IUPAC Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethylphenyl)-4-oxobut-2-enoic acid Traditional Name: (Z)-4-(3,4-dimethylphenyl)-4-keto-2-piperonyl-but-2-enoic acid Formula: C20H18O5 MolecularWeight: 338.35392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=C(CC2=CC3=C(C=C2)OCO3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)/C=C(/CC2=CC3=C(C=C2)OCO3)\C(=O)O)C

InChI

InChI=1S/C20H18O5/c1-12-3-5-15(7-13(12)2)17(21)10-16(20(22)23)8-14-4-6-18-19(9-14)25-11-24-18/h3-7,9-10H,8,11H2,1-2H3,(H,22,23)/b16-10-