(E,2E)-3-methoxycarbonyl-4-(3-methoxy-4-oxidanyl-phenyl)-2-[(3-methoxy-4-oxidanyl-phenyl)methylidene]but-3-enoic acid

Systemtic Name: (E,2E)-3-methoxycarbonyl-4-(3-methoxy-4-oxidanyl-phenyl)-2-[(3-methoxy-4-oxidanyl-phenyl)methylidene]but-3-enoic acid Openeye Name: (E,2E)-4-(4-hydroxy-3-methoxy-phenyl)-2-[(4-hydroxy-3-methoxy-phenyl)methylene]-3-methoxycarbonyl-but-3-enoic acid CAS Name: (E,2E)-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methoxycarbonyl-3-butenoic acid IUPAC Name: (E,2E)-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methoxycarbonylbut-3-enoic acid Traditional Name: (E,2E)-3-carbomethoxy-4-(4-hydroxy-3-methoxy-phenyl)-2-vanillylidene-but-3-enoic acid Formula: C21H20O8 MolecularWeight: 400.3787

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C(=CC2=CC(=C(C=C2)O)OC)C(=O)OC)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H20O8/c1-27-18-10-12(4-6-16(18)22)8-14(20(24)25)15(21(26)29-3)9-13-5-7-17(23)19(11-13)28-2/h4-11,22-23H,1-3H3,(H,24,25)/b14-8+,15-9+