methyl 4-(butan-2-ylsulfonylmethyl)benzoate

Systemtic Name: methyl 4-(butan-2-ylsulfonylmethyl)benzoate Openeye Name: methyl 4-(sec-butylsulfonylmethyl)benzoate CAS Name: 4-(butan-2-ylsulfonylmethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(butan-2-ylsulfonylmethyl)benzoate Traditional Name: 4-(sec-butylsulfonylmethyl)benzoic acid methyl ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-4-10(2)18(15,16)9-11-5-7-12(8-6-11)13(14)17-3/h5-8,10H,4,9H2,1-3H3