5-[3-[(4-ethanoyl-3-oxidanyl-phenoxy)methyl]phenyl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[3-[(4-ethanoyl-3-oxidanyl-phenoxy)methyl]phenyl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-[(4-acetyl-3-hydroxy-phenoxy)methyl]phenyl]-5-oxo-pentanoic acid CAS Name: 5-[3-[(4-acetyl-3-hydroxyphenoxy)methyl]phenyl]-5-oxopentanoic acid IUPAC Name: 5-[3-[(4-acetyl-3-hydroxyphenoxy)methyl]phenyl]-5-oxopentanoic acid Traditional Name: 5-[3-[(4-acetyl-3-hydroxy-phenoxy)methyl]phenyl]-5-keto-valeric acid Formula: C20H20O6 MolecularWeight: 356.3692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC2=CC=CC(=C2)C(=O)CCCC(=O)O)O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC2=CC=CC(=C2)C(=O)CCCC(=O)O)O

InChI

InChI=1S/C20H20O6/c1-13(21)17-9-8-16(11-19(17)23)26-12-14-4-2-5-15(10-14)18(22)6-3-7-20(24)25/h2,4-5,8-11,23H,3,6-7,12H2,1H3,(H,24,25)