(2E,6E)-2,6-bis[(2,4-dimethoxyphenyl)methylidene]cyclohexan-1-one hydrate

Systemtic Name: (2E,6E)-2,6-bis[(2,4-dimethoxyphenyl)methylidene]cyclohexan-1-one hydrate Openeye Name: (2E,6E)-2,6-bis[(2,4-dimethoxyphenyl)methylene]cyclohexanone hydrate CAS Name: (2E,6E)-2,6-bis[(2,4-dimethoxyphenyl)methylidene]-1-cyclohexanone hydrate IUPAC Name: (2E,6E)-2,6-bis[(2,4-dimethoxyphenyl)methylidene]cyclohexan-1-one hydrate Traditional Name: (2E,6E)-2,6-bis(2,4-dimethoxybenzylidene)cyclohexanone hydrate Formula: C24H28O6 MolecularWeight: 412.47552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=C2CCCC(=CC3=C(C=C(C=C3)OC)OC)C2=O)OC.O

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C\2/C(=O)/C(=C/C3=C(C=C(C=C3)OC)OC)/CCC2)OC.O

InChI

InChI=1S/C24H26O5.H2O/c1-26-20-10-8-16(22(14-20)28-3)12-18-6-5-7-19(24(18)25)13-17-9-11-21(27-2)15-23(17)29-4;/h8-15H,5-7H2,1-4H3;1H2/b18-12+,19-13+;