methyl 4-(4-propan-2-ylphenyl)sulfonylbutanoate

Systemtic Name: methyl 4-(4-propan-2-ylphenyl)sulfonylbutanoate Openeye Name: methyl 4-(4-isopropylphenyl)sulfonylbutanoate CAS Name: 4-(4-propan-2-ylphenyl)sulfonylbutanoic acid methyl ester IUPAC Name: methyl 4-(4-propan-2-ylphenyl)sulfonylbutanoate Traditional Name: 4-p-cumenylsulfonylbutyric acid methyl ester Formula: C14H20O4S MolecularWeight: 284.3712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)CCCC(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)CCCC(=O)OC

InChI

InChI=1S/C14H20O4S/c1-11(2)12-6-8-13(9-7-12)19(16,17)10-4-5-14(15)18-3/h6-9,11H,4-5,10H2,1-3H3