(2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)-4-phenyl-cyclohexan-1-one

Systemtic Name: (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)-4-phenyl-cyclohexan-1-one Openeye Name: (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylene)-4-phenyl-cyclohexanone CAS Name: (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)-4-phenyl-1-cyclohexanone IUPAC Name: (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)-4-phenylcyclohexan-1-one Traditional Name: (2E,6E)-4-phenyl-2,6-dipiperonylidene-cyclohexanone Formula: C28H22O5 MolecularWeight: 438.47128

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=CC2=CC3=C(C=C2)OCO3)C(=O)C1=CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

C1/C(=C\C2=CC3=C(OCO3)C=C2)/C(=O)/C(=C/C4=CC5=C(OCO5)C=C4)/CC1C6=CC=CC=C6

InChI

InChI=1S/C28H22O5/c29-28-22(10-18-6-8-24-26(12-18)32-16-30-24)14-21(20-4-2-1-3-5-20)15-23(28)11-19-7-9-25-27(13-19)33-17-31-25/h1-13,21H,14-17H2/b22-10+,23-11+