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

Systemtic Name: 3-[4-butoxy-1-(2-carboxyethyl)-4-oxidanyl-3-phenyl-cyclohexa-2,5-dien-1-yl]propanoic acid Openeye Name: 3-[4-butoxy-1-(2-carboxyethyl)-4-hydroxy-3-phenyl-cyclohexa-2,5-dien-1-yl]propanoic acid CAS Name: 3-[4-butoxy-1-(2-carboxyethyl)-4-hydroxy-3-phenyl-1-cyclohexa-2,5-dienyl]propanoic acid IUPAC Name: 3-[4-butoxy-1-(2-carboxyethyl)-4-hydroxy-3-phenylcyclohexa-2,5-dien-1-yl]propanoic acid Traditional Name: 3-[4-butoxy-1-(2-carboxyethyl)-4-hydroxy-3-phenyl-cyclohexa-2,5-dien-1-yl]propionic acid Formula: C22H28O6 MolecularWeight: 388.45412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1(C=CC(C=C1C2=CC=CC=C2)(CCC(=O)O)CCC(=O)O)O

Isomeric SMILES

CCCCOC1(C=CC(C=C1C2=CC=CC=C2)(CCC(=O)O)CCC(=O)O)O

InChI

InChI=1S/C22H28O6/c1-2-3-15-28-22(27)14-13-21(11-9-19(23)24,12-10-20(25)26)16-18(22)17-7-5-4-6-8-17/h4-8,13-14,16,27H,2-3,9-12,15H2,1H3,(H,23,24)(H,25,26)