methyl 4-(butylsulfonylmethyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCS(=O)(=O)CC1=CC=C(C=C1)C(=O)OC

InChI

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