tert-butyl 4-chloranyl-4-(4-methylphenyl)sulfinyl-3-phenyl-butanoate

Systemtic Name: tert-butyl 4-chloranyl-4-(4-methylphenyl)sulfinyl-3-phenyl-butanoate Openeye Name: tert-butyl 4-chloro-3-phenyl-4-(p-tolylsulfinyl)butanoate CAS Name: 4-chloro-4-(4-methylphenyl)sulfinyl-3-phenylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-chloro-4-(4-methylphenyl)sulfinyl-3-phenylbutanoate Traditional Name: 4-chloro-3-phenyl-4-(p-tolylsulfinyl)butyric acid tert-butyl ester Formula: C21H25ClO3S MolecularWeight: 392.9394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C(C(CC(=O)OC(C)(C)C)C2=CC=CC=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)C(C(CC(=O)OC(C)(C)C)C2=CC=CC=C2)Cl

InChI

InChI=1S/C21H25ClO3S/c1-15-10-12-17(13-11-15)26(24)20(22)18(16-8-6-5-7-9-16)14-19(23)25-21(2,3)4/h5-13,18,20H,14H2,1-4H3