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

Systemtic Name: 3-[3-[5-(2-carboxyethyl)-2-oxidanyl-phenyl]-4-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[3-[5-(2-carboxyethyl)-2-hydroxy-phenyl]-4-hydroxy-phenyl]propanoic acid CAS Name: 3-[3-[5-(2-carboxyethyl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanoic acid IUPAC Name: 3-[3-[5-(2-carboxyethyl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanoic acid Traditional Name: 3-[3-[5-(2-carboxyethyl)-2-hydroxy-phenyl]-4-hydroxy-phenyl]propionic acid Formula: C18H18O6 MolecularWeight: 330.33192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC(=O)O)C2=C(C=CC(=C2)CCC(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CCC(=O)O)C2=C(C=CC(=C2)CCC(=O)O)O)O

InChI

InChI=1S/C18H18O6/c19-15-5-1-11(3-7-17(21)22)9-13(15)14-10-12(2-6-16(14)20)4-8-18(23)24/h1-2,5-6,9-10,19-20H,3-4,7-8H2,(H,21,22)(H,23,24)