(3,3-dimethyl-2-oxidanylidene-butyl) 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C14H17ClO3S MolecularWeight: 300.80098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)SC)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)SC)Cl

InChI

InChI=1S/C14H17ClO3S/c1-14(2,3)12(16)8-18-13(17)10-7-9(19-4)5-6-11(10)15/h5-7H,8H2,1-4H3