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

Systemtic Name: methyl 4-butyl-2-chloranyl-3-methylsulfonyl-benzoate Openeye Name: methyl 4-butyl-2-chloro-3-methylsulfonyl-benzoate CAS Name: 4-butyl-2-chloro-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-butyl-2-chloro-3-methylsulfonylbenzoate Traditional Name: 4-butyl-2-chloro-3-mesyl-benzoic acid methyl ester Formula: C13H17ClO4S MolecularWeight: 304.78968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClO4S/c1-4-5-6-9-7-8-10(13(15)18-2)11(14)12(9)19(3,16)17/h7-8H,4-6H2,1-3H3