(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzoate CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzoate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H23ClO5S MolecularWeight: 434.93302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C22H23ClO5S/c1-22(2,3)19(24)11-27-21(25)17-6-4-5-7-18(17)29-12-15-9-16(23)8-14-10-26-13-28-20(14)15/h4-9H,10-13H2,1-3H3