methyl 4-butyl-2-methyl-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-butyl-2-methyl-3-methylsulfonyl-benzoate Openeye Name: methyl 4-butyl-2-methyl-3-methylsulfonyl-benzoate CAS Name: 4-butyl-2-methyl-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-butyl-2-methyl-3-methylsulfonylbenzoate Traditional Name: 4-butyl-3-mesyl-2-methyl-benzoic acid methyl ester Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C(=O)OC)C)S(=O)(=O)C

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C(=O)OC)C)S(=O)(=O)C

InChI

InChI=1S/C14H20O4S/c1-5-6-7-11-8-9-12(14(15)18-3)10(2)13(11)19(4,16)17/h8-9H,5-7H2,1-4H3