16-oxidanylidene-16-[[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]hexadecanoic acid

Systemtic Name: 16-oxidanylidene-16-[[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]hexadecanoic acid Openeye Name: 16-[2-(4-hydroxy-4-oxo-butyl)sulfanylanilino]-16-oxo-hexadecanoic acid CAS Name: 16-[2-[(4-hydroxy-4-oxobutyl)thio]anilino]-16-oxohexadecanoic acid IUPAC Name: 16-[2-(4-hydroxy-4-oxobutyl)sulfanylanilino]-16-oxohexadecanoic acid Traditional Name: 16-[2-[(4-hydroxy-4-keto-butyl)thio]anilino]-16-keto-palmitic acid Formula: C26H41NO5S MolecularWeight: 479.67244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C26H41NO5S/c28-24(27-22-16-13-14-17-23(22)33-21-15-20-26(31)32)18-11-9-7-5-3-1-2-4-6-8-10-12-19-25(29)30/h13-14,16-17H,1-12,15,18-21H2,(H,27,28)(H,29,30)(H,31,32)