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

Systemtic Name: (2E,6E)-2,6-bis[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]cyclohexan-1-one Openeye Name: (2E,6E)-2,6-bis[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]cyclohexanone CAS Name: (2E,6E)-2,6-bis[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-cyclohexanone IUPAC Name: (2E,6E)-2,6-bis[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]cyclohexan-1-one Traditional Name: (2E,6E)-2,6-bis(3-bromo-5-methoxy-4-propargyloxy-benzylidene)cyclohexanone Formula: C28H24Br2O5 MolecularWeight: 600.29516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2CCCC(=CC3=CC(=C(C(=C3)Br)OCC#C)OC)C2=O)Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCC#C)OC)/CCC2)Br)OCC#C

InChI

InChI=1S/C28H24Br2O5/c1-5-10-34-27-22(29)14-18(16-24(27)32-3)12-20-8-7-9-21(26(20)31)13-19-15-23(30)28(35-11-6-2)25(17-19)33-4/h1-2,12-17H,7-11H2,3-4H3/b20-12+,21-13+