7-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanyl-1-(4-phenoxyphenyl)heptan-2-one

Systemtic Name: 7-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanyl-1-(4-phenoxyphenyl)heptan-2-one Openeye Name: 3-hydroxy-7-(4-hydroxy-3-methoxy-phenyl)-1-(4-phenoxyphenyl)heptan-2-one CAS Name: 3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-phenoxyphenyl)-2-heptanone IUPAC Name: 3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-phenoxyphenyl)heptan-2-one Traditional Name: 3-hydroxy-7-(4-hydroxy-3-methoxy-phenyl)-1-(4-phenoxyphenyl)heptan-2-one Formula: C26H28O5 MolecularWeight: 420.49752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCCCC(C(=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCCCC(C(=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)O)O

InChI

InChI=1S/C26H28O5/c1-30-26-18-19(13-16-24(26)28)7-5-6-10-23(27)25(29)17-20-11-14-22(15-12-20)31-21-8-3-2-4-9-21/h2-4,8-9,11-16,18,23,27-28H,5-7,10,17H2,1H3