(2E,7E)-2,7-bis[(3,5-dimethyl-4-oxidanyl-phenyl)methylidene]cycloheptan-1-one

Systemtic Name: (2E,7E)-2,7-bis[(3,5-dimethyl-4-oxidanyl-phenyl)methylidene]cycloheptan-1-one Openeye Name: (2E,7E)-2,7-bis[(4-hydroxy-3,5-dimethyl-phenyl)methylene]cycloheptanone CAS Name: (2E,7E)-2,7-bis[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1-cycloheptanone IUPAC Name: (2E,7E)-2,7-bis[(4-hydroxy-3,5-dimethylphenyl)methylidene]cycloheptan-1-one Traditional Name: (2E,7E)-2,7-bis(4-hydroxy-3,5-dimethyl-benzylidene)cycloheptanone Formula: C25H28O3 MolecularWeight: 376.48802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=C2CCCCC(=CC3=CC(=C(C(=C3)C)O)C)C2=O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C\2/C(=O)/C(=C/C3=CC(=C(C(=C3)C)O)C)/CCCC2

InChI

InChI=1S/C25H28O3/c1-15-9-19(10-16(2)23(15)26)13-21-7-5-6-8-22(25(21)28)14-20-11-17(3)24(27)18(4)12-20/h9-14,26-27H,5-8H2,1-4H3/b21-13+,22-14+