1-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-7-(4-phenoxyphenyl)heptan-3-one

Systemtic Name: 1-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-7-(4-phenoxyphenyl)heptan-3-one Openeye Name: 5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-phenoxyphenyl)heptan-3-one CAS Name: 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-phenoxyphenyl)-3-heptanone IUPAC Name: 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-phenoxyphenyl)heptan-3-one Traditional Name: 5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-phenoxyphenyl)heptan-3-one Formula: C26H28O5 MolecularWeight: 420.49752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)CC(CCC2=CC=C(C=C2)OC3=CC=CC=C3)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)CC(CCC2=CC=C(C=C2)OC3=CC=CC=C3)O)O

InChI

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