2-phenylethynyl 4-methylbenzenesulfonate

Systemtic Name: 2-phenylethynyl 4-methylbenzenesulfonate Openeye Name: 2-phenylethynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-phenylethynyl ester IUPAC Name: 2-phenylethynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-phenylethynyl ester Formula: C15H12O3S MolecularWeight: 272.31898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC#CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC#CC2=CC=CC=C2

InChI

InChI=1S/C15H12O3S/c1-13-7-9-15(10-8-13)19(16,17)18-12-11-14-5-3-2-4-6-14/h2-10H,1H3