21-oxidanylidene-21-[[2-(4-phosphonobutoxy)phenyl]sulfanylamino]henicosanoic acid

Systemtic Name: 21-oxidanylidene-21-[[2-(4-phosphonobutoxy)phenyl]sulfanylamino]henicosanoic acid Openeye Name: 21-oxo-21-[[2-(4-phosphonobutoxy)phenyl]sulfanylamino]henicosanoic acid CAS Name: 21-oxo-21-[[[2-(4-phosphonobutoxy)phenyl]thio]amino]heneicosanoic acid IUPAC Name: 21-oxo-21-[[2-(4-phosphonobutoxy)phenyl]sulfanylamino]henicosanoic acid Traditional Name: 21-keto-21-[[[2-(4-phosphonobutoxy)phenyl]thio]amino]heneicosanoic acid Formula: C31H54NO7PS MolecularWeight: 615.801721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCCCP(=O)(O)O)SNC(=O)CCCCCCCCCCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OCCCCP(=O)(O)O)SNC(=O)CCCCCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C31H54NO7PS/c33-30(32-41-29-23-19-18-22-28(29)39-26-20-21-27-40(36,37)38)24-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-25-31(34)35/h18-19,22-23H,1-17,20-21,24-27H2,(H,32,33)(H,34,35)(H2,36,37,38)