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

Systemtic Name: (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)-4-tert-butyl-cyclohexan-1-one Openeye Name: (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylene)-4-tert-butyl-cyclohexanone CAS Name: (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)-4-tert-butyl-1-cyclohexanone IUPAC Name: (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)-4-tert-butylcyclohexan-1-one Traditional Name: (2E,6E)-4-tert-butyl-2,6-dipiperonylidene-cyclohexanone Formula: C26H26O5 MolecularWeight: 418.48164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(=CC2=CC3=C(C=C2)OCO3)C(=O)C(=CC4=CC5=C(C=C4)OCO5)C1

Isomeric SMILES

CC(C1C/C(=C\C2=CC3=C(OCO3)C=C2)/C(=O)/C(=C/C4=CC5=C(OCO5)C=C4)/C1)(C)C

InChI

InChI=1S/C26H26O5/c1-26(2,3)20-12-18(8-16-4-6-21-23(10-16)30-14-28-21)25(27)19(13-20)9-17-5-7-22-24(11-17)31-15-29-22/h4-11,20H,12-15H2,1-3H3/b18-8+,19-9+