tert-butyl 3-(1,3-benzodioxol-5-yl)-4-chloranyl-4-(4-methylphenyl)sulfinyl-butanoate

Systemtic Name: tert-butyl 3-(1,3-benzodioxol-5-yl)-4-chloranyl-4-(4-methylphenyl)sulfinyl-butanoate Openeye Name: tert-butyl 3-(1,3-benzodioxol-5-yl)-4-chloro-4-(p-tolylsulfinyl)butanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-4-chloro-4-(4-methylphenyl)sulfinylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1,3-benzodioxol-5-yl)-4-chloro-4-(4-methylphenyl)sulfinylbutanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-chloro-4-(p-tolylsulfinyl)butyric acid tert-butyl ester Formula: C22H25ClO5S MolecularWeight: 436.9489

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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=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)C(C(CC(=O)OC(C)(C)C)C2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C22H25ClO5S/c1-14-5-8-16(9-6-14)29(25)21(23)17(12-20(24)28-22(2,3)4)15-7-10-18-19(11-15)27-13-26-18/h5-11,17,21H,12-13H2,1-4H3