(E)-1-(3-bromanyl-4-phenylmethoxy-phenyl)-7-(3-methoxy-4-oxidanyl-phenyl)hept-1-en-3-one

Systemtic Name: (E)-1-(3-bromanyl-4-phenylmethoxy-phenyl)-7-(3-methoxy-4-oxidanyl-phenyl)hept-1-en-3-one Openeye Name: (E)-1-(4-benzyloxy-3-bromo-phenyl)-7-(4-hydroxy-3-methoxy-phenyl)hept-1-en-3-one CAS Name: (E)-1-(3-bromo-4-phenylmethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1-hepten-3-one IUPAC Name: (E)-1-(3-bromo-4-phenylmethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hept-1-en-3-one Traditional Name: (E)-1-(4-benzoxy-3-bromo-phenyl)-7-(4-hydroxy-3-methoxy-phenyl)hept-1-en-3-one Formula: C27H27BrO4 MolecularWeight: 495.40488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCCCC(=O)C=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)Br)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCCCC(=O)/C=C/C2=CC(=C(C=C2)OCC3=CC=CC=C3)Br)O

InChI

InChI=1S/C27H27BrO4/c1-31-27-18-20(12-15-25(27)30)7-5-6-10-23(29)14-11-21-13-16-26(24(28)17-21)32-19-22-8-3-2-4-9-22/h2-4,8-9,11-18,30H,5-7,10,19H2,1H3/b14-11+