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

Systemtic Name: methyl 4-hexyl-2-methyl-3-methylsulfonyl-benzoate Openeye Name: methyl 4-hexyl-2-methyl-3-methylsulfonyl-benzoate CAS Name: 4-hexyl-2-methyl-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-hexyl-2-methyl-3-methylsulfonylbenzoate Traditional Name: 4-hexyl-3-mesyl-2-methyl-benzoic acid methyl ester Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O4S/c1-5-6-7-8-9-13-10-11-14(16(17)20-3)12(2)15(13)21(4,18)19/h10-11H,5-9H2,1-4H3