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

Systemtic Name: methyl 4-cyclopentyl-2-ethynyl-3-methylsulfonyl-benzoate Openeye Name: methyl 4-cyclopentyl-2-ethynyl-3-methylsulfonyl-benzoate CAS Name: 4-cyclopentyl-2-ethynyl-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-cyclopentyl-2-ethynyl-3-methylsulfonylbenzoate Traditional Name: 4-cyclopentyl-2-ethynyl-3-mesyl-benzoic acid methyl ester Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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