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

Systemtic Name: 12-oxidanylidene-12-[[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]sulfonylmethylamino]dodecanoic acid Openeye Name: 12-[[2-(4-hydroxy-4-oxo-butyl)sulfanylphenyl]sulfonylmethylamino]-12-oxo-dodecanoic acid CAS Name: 12-[[2-[(4-hydroxy-4-oxobutyl)thio]phenyl]sulfonylmethylamino]-12-oxododecanoic acid IUPAC Name: 12-[[2-(4-hydroxy-4-oxobutyl)sulfanylphenyl]sulfonylmethylamino]-12-oxododecanoic acid Traditional Name: 12-[[2-[(4-hydroxy-4-keto-butyl)thio]phenyl]sulfonylmethylamino]-12-keto-lauric acid Formula: C23H35NO7S2 MolecularWeight: 501.6565

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCCCC(=O)O)S(=O)(=O)CNC(=O)CCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)SCCCC(=O)O)S(=O)(=O)CNC(=O)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C23H35NO7S2/c25-21(14-7-5-3-1-2-4-6-8-15-22(26)27)24-18-33(30,31)20-13-10-9-12-19(20)32-17-11-16-23(28)29/h9-10,12-13H,1-8,11,14-18H2,(H,24,25)(H,26,27)(H,28,29)