methyl 4-cyclopentyl-2-ethynyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-cyclopentyl-2-ethynyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-cyclopentyl-2-ethynyl-5-methylsulfonyl-benzoate CAS Name: 4-cyclopentyl-2-ethynyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-cyclopentyl-2-ethynyl-5-methylsulfonylbenzoate Traditional Name: 4-cyclopentyl-2-ethynyl-5-mesyl-benzoic acid methyl ester Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C#C)C2CCCC2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C#C)C2CCCC2)S(=O)(=O)C

InChI

InChI=1S/C16H18O4S/c1-4-11-9-13(12-7-5-6-8-12)15(21(3,18)19)10-14(11)16(17)20-2/h1,9-10,12H,5-8H2,2-3H3