4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-phenyl-methyl]benzoic acid

Systemtic Name: 4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-phenyl-methyl]benzoic acid Openeye Name: 4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)-phenyl-methyl]benzoic acid CAS Name: 4-[(4-acetyl-3-hydroxy-2-propylphenoxy)-phenylmethyl]benzoic acid IUPAC Name: 4-[(4-acetyl-3-hydroxy-2-propylphenoxy)-phenylmethyl]benzoic acid Traditional Name: 4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)-phenyl-methyl]benzoic acid Formula: C25H24O5 MolecularWeight: 404.45506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OC(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OC(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H24O5/c1-3-7-21-22(15-14-20(16(2)26)23(21)27)30-24(17-8-5-4-6-9-17)18-10-12-19(13-11-18)25(28)29/h4-6,8-15,24,27H,3,7H2,1-2H3,(H,28,29)