2-(4-hept-1-ynylphenyl)sulfonylpropanoic acid

Systemtic Name: 2-(4-hept-1-ynylphenyl)sulfonylpropanoic acid Openeye Name: 2-(4-hept-1-ynylphenyl)sulfonylpropanoic acid CAS Name: 2-(4-hept-1-ynylphenyl)sulfonylpropanoic acid IUPAC Name: 2-(4-hept-1-ynylphenyl)sulfonylpropanoic acid Traditional Name: 2-(4-hept-1-ynylphenyl)sulfonylpropionic acid Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O4S/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)21(19,20)13(2)16(17)18/h9-13H,3-6H2,1-2H3,(H,17,18)