3-[3-[[5-(2-carboxyethyl)-2-oxidanyl-phenyl]methyl]-4-oxidanyl-cyclohexa-1,3-dien-1-yl]propanoic acid

Systemtic Name: 3-[3-[[5-(2-carboxyethyl)-2-oxidanyl-phenyl]methyl]-4-oxidanyl-cyclohexa-1,3-dien-1-yl]propanoic acid Openeye Name: 3-[3-[[5-(2-carboxyethyl)-2-hydroxy-phenyl]methyl]-4-hydroxy-cyclohexa-1,3-dien-1-yl]propanoic acid CAS Name: 3-[3-[[5-(2-carboxyethyl)-2-hydroxyphenyl]methyl]-4-hydroxy-1-cyclohexa-1,3-dienyl]propanoic acid IUPAC Name: 3-[3-[[5-(2-carboxyethyl)-2-hydroxyphenyl]methyl]-4-hydroxycyclohexa-1,3-dien-1-yl]propanoic acid Traditional Name: 3-[3-[5-(2-carboxyethyl)-2-hydroxy-benzyl]-4-hydroxy-cyclohexa-1,3-dien-1-yl]propionic acid Formula: C19H22O6 MolecularWeight: 346.37438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1CCC(=O)O)CC2=C(C=CC(=C2)CCC(=O)O)O)O

Isomeric SMILES

C1CC(=C(C=C1CCC(=O)O)CC2=C(C=CC(=C2)CCC(=O)O)O)O

InChI

InChI=1S/C19H22O6/c20-16-5-1-12(3-7-18(22)23)9-14(16)11-15-10-13(2-6-17(15)21)4-8-19(24)25/h1,5,9-10,20-21H,2-4,6-8,11H2,(H,22,23)(H,24,25)