6-(4-ethanoyl-3-oxidanyl-phenoxy)-6-[4-(phenylmethyl)phenyl]hexanoic acid

Systemtic Name: 6-(4-ethanoyl-3-oxidanyl-phenoxy)-6-[4-(phenylmethyl)phenyl]hexanoic acid Openeye Name: 6-(4-acetyl-3-hydroxy-phenoxy)-6-(4-benzylphenyl)hexanoic acid CAS Name: 6-(4-acetyl-3-hydroxyphenoxy)-6-[4-(phenylmethyl)phenyl]hexanoic acid IUPAC Name: 6-(4-acetyl-3-hydroxyphenoxy)-6-(4-benzylphenyl)hexanoic acid Traditional Name: 6-(4-acetyl-3-hydroxy-phenoxy)-6-(4-benzylphenyl)hexanoic acid Formula: C27H28O5 MolecularWeight: 432.50822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OC(CCCCC(=O)O)C2=CC=C(C=C2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OC(CCCCC(=O)O)C2=CC=C(C=C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C27H28O5/c1-19(28)24-16-15-23(18-25(24)29)32-26(9-5-6-10-27(30)31)22-13-11-21(12-14-22)17-20-7-3-2-4-8-20/h2-4,7-8,11-16,18,26,29H,5-6,9-10,17H2,1H3,(H,30,31)