13-oxidanylidene-13-[[2-(6-oxidanyl-6-oxidanylidene-hexyl)sulfanylphenyl]amino]tridecanoic acid

Systemtic Name: 13-oxidanylidene-13-[[2-(6-oxidanyl-6-oxidanylidene-hexyl)sulfanylphenyl]amino]tridecanoic acid Openeye Name: 13-[2-(6-hydroxy-6-oxo-hexyl)sulfanylanilino]-13-oxo-tridecanoic acid CAS Name: 13-[2-[(6-hydroxy-6-oxohexyl)thio]anilino]-13-oxotridecanoic acid IUPAC Name: 13-[2-(6-hydroxy-6-oxohexyl)sulfanylanilino]-13-oxotridecanoic acid Traditional Name: 13-[2-[(6-hydroxy-6-keto-hexyl)thio]anilino]-13-keto-tridecanoic acid Formula: C25H39NO5S MolecularWeight: 465.64586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCC(=O)O)SCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCC(=O)O)SCCCCCC(=O)O

InChI

InChI=1S/C25H39NO5S/c27-23(17-9-6-4-2-1-3-5-7-10-18-24(28)29)26-21-15-12-13-16-22(21)32-20-14-8-11-19-25(30)31/h12-13,15-16H,1-11,14,17-20H2,(H,26,27)(H,28,29)(H,30,31)