16-oxidanylidene-16-[[2-(4-phosphonobutoxy)phenyl]amino]hexadecanoic acid

Systemtic Name: 16-oxidanylidene-16-[[2-(4-phosphonobutoxy)phenyl]amino]hexadecanoic acid Openeye Name: 16-oxo-16-[2-(4-phosphonobutoxy)anilino]hexadecanoic acid CAS Name: 16-oxo-16-[2-(4-phosphonobutoxy)anilino]hexadecanoic acid IUPAC Name: 16-oxo-16-[2-(4-phosphonobutoxy)anilino]hexadecanoic acid Traditional Name: 16-keto-16-[2-(4-phosphonobutoxy)anilino]palmitic acid Formula: C26H44NO7P MolecularWeight: 513.603821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44NO7P/c28-25(19-11-9-7-5-3-1-2-4-6-8-10-12-20-26(29)30)27-23-17-13-14-18-24(23)34-21-15-16-22-35(31,32)33/h13-14,17-18H,1-12,15-16,19-22H2,(H,27,28)(H,29,30)(H2,31,32,33)