5-[2-(3,4-dimethoxy-5-thiophen-2-yl-phenyl)prop-2-enoyl]-1,3-benzodioxole-2,2-dicarboxylic acid

Systemtic Name: 5-[2-(3,4-dimethoxy-5-thiophen-2-yl-phenyl)prop-2-enoyl]-1,3-benzodioxole-2,2-dicarboxylic acid Openeye Name: 5-[2-[3,4-dimethoxy-5-(2-thienyl)phenyl]prop-2-enoyl]-1,3-benzodioxole-2,2-dicarboxylic acid CAS Name: 5-[2-(3,4-dimethoxy-5-thiophen-2-ylphenyl)-1-oxoprop-2-enyl]-1,3-benzodioxole-2,2-dicarboxylic acid IUPAC Name: 5-[2-(3,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]-1,3-benzodioxole-2,2-dicarboxylic acid Traditional Name: 5-[2-[3,4-dimethoxy-5-(2-thienyl)phenyl]acryloyl]-1,3-benzodioxole-2,2-dicarboxylic acid Formula: C24H18O9S MolecularWeight: 482.45932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=C)C(=O)C2=CC3=C(C=C2)OC(O3)(C(=O)O)C(=O)O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=C)C(=O)C2=CC3=C(C=C2)OC(O3)(C(=O)O)C(=O)O)C4=CC=CS4)OC

InChI

InChI=1S/C24H18O9S/c1-12(14-9-15(19-5-4-8-34-19)21(31-3)18(11-14)30-2)20(25)13-6-7-16-17(10-13)33-24(32-16,22(26)27)23(28)29/h4-11H,1H2,2-3H3,(H,26,27)(H,28,29)