methyl 4-butoxy-2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-butoxy-2-methyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-butoxy-2-methyl-5-methylsulfonyl-benzoate CAS Name: 4-butoxy-2-methyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-butoxy-2-methyl-5-methylsulfonylbenzoate Traditional Name: 4-butoxy-5-mesyl-2-methyl-benzoic acid methyl ester Formula: C14H20O5S MolecularWeight: 300.3706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)C)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)C)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C14H20O5S/c1-5-6-7-19-12-8-10(2)11(14(15)18-3)9-13(12)20(4,16)17/h8-9H,5-7H2,1-4H3