2-[(7-tert-butyl-1,3-benzodioxol-4-yl)methylidene]-6-(1,3-dithian-2-ylidene)cyclohexan-1-one

Systemtic Name: 2-[(7-tert-butyl-1,3-benzodioxol-4-yl)methylidene]-6-(1,3-dithian-2-ylidene)cyclohexan-1-one Openeye Name: 2-[(7-tert-butyl-1,3-benzodioxol-4-yl)methylene]-6-(1,3-dithian-2-ylidene)cyclohexanone CAS Name: 2-[(7-tert-butyl-1,3-benzodioxol-4-yl)methylidene]-6-(1,3-dithian-2-ylidene)-1-cyclohexanone IUPAC Name: 2-[(7-tert-butyl-1,3-benzodioxol-4-yl)methylidene]-6-(1,3-dithian-2-ylidene)cyclohexan-1-one Traditional Name: 2-[(7-tert-butyl-1,3-benzodioxol-4-yl)methylene]-6-(1,3-dithian-2-ylidene)cyclohexanone Formula: C22H26O3S2 MolecularWeight: 402.57004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=C(C=C1)C=C3CCCC(=C4SCCCS4)C3=O)OCO2

Isomeric SMILES

CC(C)(C)C1=C2C(=C(C=C1)C=C3CCCC(=C4SCCCS4)C3=O)OCO2

InChI

InChI=1S/C22H26O3S2/c1-22(2,3)17-9-8-15(19-20(17)25-13-24-19)12-14-6-4-7-16(18(14)23)21-26-10-5-11-27-21/h8-9,12H,4-7,10-11,13H2,1-3H3