tert-butyl 4-chloranyl-3,3-dimethyl-4-(4-methylphenyl)sulfinyl-butanoate

Systemtic Name: tert-butyl 4-chloranyl-3,3-dimethyl-4-(4-methylphenyl)sulfinyl-butanoate Openeye Name: tert-butyl 4-chloro-3,3-dimethyl-4-(p-tolylsulfinyl)butanoate CAS Name: 4-chloro-3,3-dimethyl-4-(4-methylphenyl)sulfinylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-chloro-3,3-dimethyl-4-(4-methylphenyl)sulfinylbutanoate Traditional Name: 4-chloro-3,3-dimethyl-4-(p-tolylsulfinyl)butyric acid tert-butyl ester Formula: C17H25ClO3S MolecularWeight: 344.8966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C(C(C)(C)CC(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)C(C(C)(C)CC(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C17H25ClO3S/c1-12-7-9-13(10-8-12)22(20)15(18)17(5,6)11-14(19)21-16(2,3)4/h7-10,15H,11H2,1-6H3