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

Systemtic Name: methyl 2-ethynyl-4-hexyl-3-methylsulfonyl-benzoate Openeye Name: methyl 2-ethynyl-4-hexyl-3-methylsulfonyl-benzoate CAS Name: 2-ethynyl-4-hexyl-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-ethynyl-4-hexyl-3-methylsulfonylbenzoate Traditional Name: 2-ethynyl-4-hexyl-3-mesyl-benzoic acid methyl ester Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O4S/c1-5-7-8-9-10-13-11-12-15(17(18)21-3)14(6-2)16(13)22(4,19)20/h2,11-12H,5,7-10H2,1,3-4H3