2-(4-oct-2-ynoxyphenyl)sulfonylethanoic acid

Systemtic Name: 2-(4-oct-2-ynoxyphenyl)sulfonylethanoic acid Openeye Name: 2-(4-oct-2-ynoxyphenyl)sulfonylacetic acid CAS Name: 2-(4-oct-2-ynoxyphenyl)sulfonylacetic acid IUPAC Name: 2-(4-oct-2-ynoxyphenyl)sulfonylacetic acid Traditional Name: 2-(4-oct-2-ynoxyphenyl)sulfonylacetic acid Formula: C16H20O5S MolecularWeight: 324.392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCOC1=CC=C(C=C1)S(=O)(=O)CC(=O)O

Isomeric SMILES

CCCCCC#CCOC1=CC=C(C=C1)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C16H20O5S/c1-2-3-4-5-6-7-12-21-14-8-10-15(11-9-14)22(19,20)13-16(17)18/h8-11H,2-5,12-13H2,1H3,(H,17,18)