3-(4-hept-1-ynylphenyl)sulfonylpropanoic acid

Systemtic Name: 3-(4-hept-1-ynylphenyl)sulfonylpropanoic acid Openeye Name: 3-(4-hept-1-ynylphenyl)sulfonylpropanoic acid CAS Name: 3-(4-hept-1-ynylphenyl)sulfonylpropanoic acid IUPAC Name: 3-(4-hept-1-ynylphenyl)sulfonylpropanoic acid Traditional Name: 3-(4-hept-1-ynylphenyl)sulfonylpropionic acid Formula: C16H20O4S MolecularWeight: 308.3926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O4S/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)21(19,20)13-12-16(17)18/h8-11H,2-5,12-13H2,1H3,(H,17,18)