tert-butyl 3-[4-(2-phenylethynyl)phenyl]sulfonylpropanoate

Systemtic Name: tert-butyl 3-[4-(2-phenylethynyl)phenyl]sulfonylpropanoate Openeye Name: tert-butyl 3-[4-(2-phenylethynyl)phenyl]sulfonylpropanoate CAS Name: 3-[4-(2-phenylethynyl)phenyl]sulfonylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(2-phenylethynyl)phenyl]sulfonylpropanoate Traditional Name: 3-[4-(2-phenylethynyl)phenyl]sulfonylpropionic acid tert-butyl ester Formula: C21H22O4S MolecularWeight: 370.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCS(=O)(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CCS(=O)(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C21H22O4S/c1-21(2,3)25-20(22)15-16-26(23,24)19-13-11-18(12-14-19)10-9-17-7-5-4-6-8-17/h4-8,11-14H,15-16H2,1-3H3