(E)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-but-2-enoic acid CAS Name: (E)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-butenoic acid IUPAC Name: (E)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxobut-2-enoic acid Traditional Name: (E)-2-(1,3-benzodioxol-5-yl)-4-keto-4-(4-methoxyphenyl)-3-p-anisyl-but-2-enoic acid Formula: C26H22O7 MolecularWeight: 446.44868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=C(C2=CC3=C(C=C2)OCO3)C(=O)O)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C/C(=C(/C2=CC3=C(C=C2)OCO3)\C(=O)O)/C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H22O7/c1-30-19-8-3-16(4-9-19)13-21(25(27)17-5-10-20(31-2)11-6-17)24(26(28)29)18-7-12-22-23(14-18)33-15-32-22/h3-12,14H,13,15H2,1-2H3,(H,28,29)/b24-21+