3-[3-[5-(2-carboxyethyl)-3-methoxy-2-oxidanyl-phenyl]-5-methoxy-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 3-[3-[5-(2-carboxyethyl)-3-methoxy-2-oxidanyl-phenyl]-5-methoxy-4-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[3-[5-(2-carboxyethyl)-2-hydroxy-3-methoxy-phenyl]-4-hydroxy-5-methoxy-phenyl]propanoic acid CAS Name: 3-[3-[5-(2-carboxyethyl)-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]propanoic acid IUPAC Name: 3-[3-[5-(2-carboxyethyl)-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]propanoic acid Traditional Name: 3-[3-[5-(2-carboxyethyl)-2-hydroxy-3-methoxy-phenyl]-4-hydroxy-5-methoxy-phenyl]propionic acid Formula: C20H22O8 MolecularWeight: 390.38388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CCC(=O)O)C2=CC(=CC(=C2O)OC)CCC(=O)O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CCC(=O)O)C2=CC(=CC(=C2O)OC)CCC(=O)O)O

InChI

InChI=1S/C20H22O8/c1-27-15-9-11(3-5-17(21)22)7-13(19(15)25)14-8-12(4-6-18(23)24)10-16(28-2)20(14)26/h7-10,25-26H,3-6H2,1-2H3,(H,21,22)(H,23,24)