tert-butyl 3-(4-hept-1-ynylphenyl)sulfonylpropanoate

Systemtic Name: tert-butyl 3-(4-hept-1-ynylphenyl)sulfonylpropanoate Openeye Name: tert-butyl 3-(4-hept-1-ynylphenyl)sulfonylpropanoate CAS Name: 3-(4-hept-1-ynylphenyl)sulfonylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-hept-1-ynylphenyl)sulfonylpropanoate Traditional Name: 3-(4-hept-1-ynylphenyl)sulfonylpropionic acid tert-butyl ester Formula: C20H28O4S MolecularWeight: 364.49892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC#CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)(C)C

InChI

InChI=1S/C20H28O4S/c1-5-6-7-8-9-10-17-11-13-18(14-12-17)25(22,23)16-15-19(21)24-20(2,3)4/h11-14H,5-8,15-16H2,1-4H3