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

Systemtic Name: methyl 2-chloranyl-4-hexyl-3-methylsulfonyl-benzoate Openeye Name: methyl 2-chloro-4-hexyl-3-methylsulfonyl-benzoate CAS Name: 2-chloro-4-hexyl-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-chloro-4-hexyl-3-methylsulfonylbenzoate Traditional Name: 2-chloro-4-hexyl-3-mesyl-benzoic acid methyl ester Formula: C15H21ClO4S MolecularWeight: 332.84284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1)C(=O)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1)C(=O)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C15H21ClO4S/c1-4-5-6-7-8-11-9-10-12(15(17)20-2)13(16)14(11)21(3,18)19/h9-10H,4-8H2,1-3H3