(2E,6E)-2,6-bis[(3-bromanyl-5-oxidanyl-4-prop-2-ynoxy-phenyl)methylidene]cyclohexan-1-one

Systemtic Name: (2E,6E)-2,6-bis[(3-bromanyl-5-oxidanyl-4-prop-2-ynoxy-phenyl)methylidene]cyclohexan-1-one Openeye Name: (2E,6E)-2,6-bis[(3-bromo-5-hydroxy-4-prop-2-ynoxy-phenyl)methylene]cyclohexanone CAS Name: (2E,6E)-2,6-bis[(3-bromo-5-hydroxy-4-prop-2-ynoxyphenyl)methylidene]-1-cyclohexanone IUPAC Name: (2E,6E)-2,6-bis[(3-bromo-5-hydroxy-4-prop-2-ynoxyphenyl)methylidene]cyclohexan-1-one Traditional Name: (2E,6E)-2,6-bis(3-bromo-5-hydroxy-4-propargyloxy-benzylidene)cyclohexanone Formula: C26H20Br2O5 MolecularWeight: 572.242

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1Br)C=C2CCCC(=CC3=CC(=C(C(=C3)Br)OCC#C)O)C2=O)O

Isomeric SMILES

C#CCOC1=C(C=C(C=C1Br)/C=C\2/C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCC#C)O)/CCC2)O

InChI

InChI=1S/C26H20Br2O5/c1-3-8-32-25-20(27)12-16(14-22(25)29)10-18-6-5-7-19(24(18)31)11-17-13-21(28)26(23(30)15-17)33-9-4-2/h1-2,10-15,29-30H,5-9H2/b18-10+,19-11+