12-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfonylphenoxy]dodecanoic acid

Systemtic Name: 12-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfonylphenoxy]dodecanoic acid Openeye Name: 12-[2-(4-hydroxy-4-oxo-butyl)sulfonylphenoxy]dodecanoic acid CAS Name: 12-[2-(4-hydroxy-4-oxobutyl)sulfonylphenoxy]dodecanoic acid IUPAC Name: 12-[2-(4-hydroxy-4-oxobutyl)sulfonylphenoxy]dodecanoic acid Traditional Name: 12-[2-(4-hydroxy-4-keto-butyl)sulfonylphenoxy]lauric acid Formula: C22H34O7S MolecularWeight: 442.56616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCCCCCCCCCCC(=O)O)S(=O)(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OCCCCCCCCCCCC(=O)O)S(=O)(=O)CCCC(=O)O

InChI

InChI=1S/C22H34O7S/c23-21(24)15-8-6-4-2-1-3-5-7-11-17-29-19-13-9-10-14-20(19)30(27,28)18-12-16-22(25)26/h9-10,13-14H,1-8,11-12,15-18H2,(H,23,24)(H,25,26)