10-oxidanylidene-10-[[2-(4-phosphonobutylsulfanyl)phenyl]amino]decanoic acid

Systemtic Name: 10-oxidanylidene-10-[[2-(4-phosphonobutylsulfanyl)phenyl]amino]decanoic acid Openeye Name: 10-oxo-10-[2-(4-phosphonobutylsulfanyl)anilino]decanoic acid CAS Name: 10-oxo-10-[2-(4-phosphonobutylthio)anilino]decanoic acid IUPAC Name: 10-oxo-10-[2-(4-phosphonobutylsulfanyl)anilino]decanoic acid Traditional Name: 10-keto-10-[2-(4-phosphonobutylthio)anilino]capric acid Formula: C20H32NO6PS MolecularWeight: 445.509941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCC(=O)O)SCCCCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCC(=O)O)SCCCCP(=O)(O)O

InChI

InChI=1S/C20H32NO6PS/c22-19(13-5-3-1-2-4-6-14-20(23)24)21-17-11-7-8-12-18(17)29-16-10-9-15-28(25,26)27/h7-8,11-12H,1-6,9-10,13-16H2,(H,21,22)(H,23,24)(H2,25,26,27)