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

Systemtic Name: methyl 2-ethynyl-3-methylsulfonyl-4-pentyl-benzoate Openeye Name: methyl 2-ethynyl-3-methylsulfonyl-4-pentyl-benzoate CAS Name: 2-ethynyl-3-methylsulfonyl-4-pentylbenzoic acid methyl ester IUPAC Name: methyl 2-ethynyl-3-methylsulfonyl-4-pentylbenzoate Traditional Name: 4-amyl-2-ethynyl-3-mesyl-benzoic acid methyl ester Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)C(=O)OC)C#C)S(=O)(=O)C

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)C(=O)OC)C#C)S(=O)(=O)C

InChI

InChI=1S/C16H20O4S/c1-5-7-8-9-12-10-11-14(16(17)20-3)13(6-2)15(12)21(4,18)19/h2,10-11H,5,7-9H2,1,3-4H3