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

Systemtic Name: 1-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-7-(4-phenylmethoxyphenyl)heptan-3-one Openeye Name: 7-(4-benzyloxyphenyl)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)heptan-3-one CAS Name: 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-phenylmethoxyphenyl)-3-heptanone IUPAC Name: 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-phenylmethoxyphenyl)heptan-3-one Traditional Name: 7-(4-benzoxyphenyl)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)heptan-3-one Formula: C27H30O5 MolecularWeight: 434.5241

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)CC(CCC2=CC=C(C=C2)OCC3=CC=CC=C3)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)CC(CCC2=CC=C(C=C2)OCC3=CC=CC=C3)O)O

InChI

InChI=1S/C27H30O5/c1-31-27-17-21(11-16-26(27)30)8-13-24(29)18-23(28)12-7-20-9-14-25(15-10-20)32-19-22-5-3-2-4-6-22/h2-6,9-11,14-17,23,28,30H,7-8,12-13,18-19H2,1H3