methyl 2-(phenylsulfonyl)hept-6-ynoate

Systemtic Name: methyl 2-(phenylsulfonyl)hept-6-ynoate Openeye Name: methyl 2-(benzenesulfonyl)hept-6-ynoate CAS Name: 2-(benzenesulfonyl)-6-heptynoic acid methyl ester IUPAC Name: methyl 2-(benzenesulfonyl)hept-6-ynoate Traditional Name: 2-besylhept-6-ynoic acid methyl ester Formula: C14H16O4S MolecularWeight: 280.33944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCC#C)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CCCC#C)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H16O4S/c1-3-4-6-11-13(14(15)18-2)19(16,17)12-9-7-5-8-10-12/h1,5,7-10,13H,4,6,11H2,2H3