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

Systemtic Name: methyl 4-hexyl-3-methylsulfonyl-2-propyl-benzoate Openeye Name: methyl 4-hexyl-3-methylsulfonyl-2-propyl-benzoate CAS Name: 4-hexyl-3-methylsulfonyl-2-propylbenzoic acid methyl ester IUPAC Name: methyl 4-hexyl-3-methylsulfonyl-2-propylbenzoate Traditional Name: 4-hexyl-3-mesyl-2-propyl-benzoic acid methyl ester Formula: C18H28O4S MolecularWeight: 340.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O4S/c1-5-7-8-9-11-14-12-13-16(18(19)22-3)15(10-6-2)17(14)23(4,20)21/h12-13H,5-11H2,1-4H3