16-(2-methylsulfonylphenoxy)hexadeca-5,8,11,14-tetraynoic acid

Systemtic Name: 16-(2-methylsulfonylphenoxy)hexadeca-5,8,11,14-tetraynoic acid Openeye Name: 16-(2-methylsulfonylphenoxy)hexadeca-5,8,11,14-tetraynoic acid CAS Name: 16-(2-methylsulfonylphenoxy)hexadeca-5,8,11,14-tetraynoic acid IUPAC Name: 16-(2-methylsulfonylphenoxy)hexadeca-5,8,11,14-tetraynoic acid Traditional Name: 16-(2-mesylphenoxy)hexadeca-5,8,11,14-tetraynoic acid Formula: C23H22O5S MolecularWeight: 410.48278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1OCC#CCC#CCC#CCC#CCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1OCC#CCC#CCC#CCC#CCCCC(=O)O

InChI

InChI=1S/C23H22O5S/c1-29(26,27)22-18-15-14-17-21(22)28-20-16-12-10-8-6-4-2-3-5-7-9-11-13-19-23(24)25/h14-15,17-18H,4-5,10-11,13,19-20H2,1H3,(H,24,25)