(E)-3-methoxycarbonyl-4-(4-methoxy-3-oxidanyl-phenyl)but-3-enoic acid

Systemtic Name: (E)-3-methoxycarbonyl-4-(4-methoxy-3-oxidanyl-phenyl)but-3-enoic acid Openeye Name: (E)-4-(3-hydroxy-4-methoxy-phenyl)-3-methoxycarbonyl-but-3-enoic acid CAS Name: (E)-4-(3-hydroxy-4-methoxyphenyl)-3-methoxycarbonyl-3-butenoic acid IUPAC Name: (E)-4-(3-hydroxy-4-methoxyphenyl)-3-methoxycarbonylbut-3-enoic acid Traditional Name: (E)-3-carbomethoxy-4-(3-hydroxy-4-methoxy-phenyl)but-3-enoic acid Formula: C13H14O6 MolecularWeight: 266.24666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O6/c1-18-11-4-3-8(6-10(11)14)5-9(7-12(15)16)13(17)19-2/h3-6,14H,7H2,1-2H3,(H,15,16)/b9-5+