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

Systemtic Name: 1-(4-chloranyl-3-methoxy-phenyl)-5-oxidanyl-7-(4-phenoxyphenyl)heptan-3-one Openeye Name: 1-(4-chloro-3-methoxy-phenyl)-5-hydroxy-7-(4-phenoxyphenyl)heptan-3-one CAS Name: 1-(4-chloro-3-methoxyphenyl)-5-hydroxy-7-(4-phenoxyphenyl)-3-heptanone IUPAC Name: 1-(4-chloro-3-methoxyphenyl)-5-hydroxy-7-(4-phenoxyphenyl)heptan-3-one Traditional Name: 1-(4-chloro-3-methoxy-phenyl)-5-hydroxy-7-(4-phenoxyphenyl)heptan-3-one Formula: C26H27ClO4 MolecularWeight: 438.94318

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClO4/c1-30-26-17-20(11-16-25(26)27)8-13-22(29)18-21(28)12-7-19-9-14-24(15-10-19)31-23-5-3-2-4-6-23/h2-6,9-11,14-17,21,28H,7-8,12-13,18H2,1H3