3,3-bis(3-ethanoyl-4-oxidanyl-phenyl)butanoic acid

Systemtic Name: 3,3-bis(3-ethanoyl-4-oxidanyl-phenyl)butanoic acid Openeye Name: 3,3-bis(3-acetyl-4-hydroxy-phenyl)butanoic acid CAS Name: 3,3-bis(3-acetyl-4-hydroxyphenyl)butanoic acid IUPAC Name: 3,3-bis(3-acetyl-4-hydroxyphenyl)butanoic acid Traditional Name: 3,3-bis(3-acetyl-4-hydroxy-phenyl)butyric acid Formula: C20H20O6 MolecularWeight: 356.3692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20O6/c1-11(21)15-8-13(4-6-17(15)23)20(3,10-19(25)26)14-5-7-18(24)16(9-14)12(2)22/h4-9,23-24H,10H2,1-3H3,(H,25,26)