(3S,6E)-2,6-bis(1,3-benzodioxol-4-ylmethylidene)-3-methyl-cyclohexan-1-one

Systemtic Name: (3S,6E)-2,6-bis(1,3-benzodioxol-4-ylmethylidene)-3-methyl-cyclohexan-1-one Openeye Name: (3S,6E)-2,6-bis(1,3-benzodioxol-4-ylmethylene)-3-methyl-cyclohexanone CAS Name: (3S,6E)-2,6-bis(1,3-benzodioxol-4-ylmethylidene)-3-methyl-1-cyclohexanone IUPAC Name: (3S,6E)-2,6-bis(1,3-benzodioxol-4-ylmethylidene)-3-methylcyclohexan-1-one Traditional Name: (3S,6E)-2,6-bis(1,3-benzodioxol-4-ylmethylene)-3-methyl-cyclohexanone Formula: C23H20O5 MolecularWeight: 376.4019

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=CC2=C3C(=CC=C2)OCO3)C(=O)C1=CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

C[C@H]1CC/C(=C\C2=C3C(=CC=C2)OCO3)/C(=O)C1=CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C23H20O5/c1-14-8-9-15(10-16-4-2-6-19-22(16)27-12-25-19)21(24)18(14)11-17-5-3-7-20-23(17)28-13-26-20/h2-7,10-11,14H,8-9,12-13H2,1H3/b15-10+,18-11?/t14-/m0/s1