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

Systemtic Name: 2-[[2-(2-carboxyethyl)-5-oxidanyl-phenyl]methyl]-3-(2-methyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-[[2-(2-carboxyethyl)-5-hydroxy-phenyl]methyl]-3-(4-hydroxy-2-methyl-phenyl)propanoic acid CAS Name: 2-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-3-(4-hydroxy-2-methylphenyl)propanoic acid IUPAC Name: 2-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-3-(4-hydroxy-2-methylphenyl)propanoic acid Traditional Name: 2-[2-(2-carboxyethyl)-5-hydroxy-benzyl]-3-(4-hydroxy-2-methyl-phenyl)propionic acid Formula: C20H22O6 MolecularWeight: 358.38508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)CC(CC2=C(C=CC(=C2)O)CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)O)CC(CC2=C(C=CC(=C2)O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H22O6/c1-12-8-17(21)6-3-14(12)9-16(20(25)26)10-15-11-18(22)5-2-13(15)4-7-19(23)24/h2-3,5-6,8,11,16,21-22H,4,7,9-10H2,1H3,(H,23,24)(H,25,26)