15-oxidanylidene-15-[[2-(4-phosphonobutylsulfanyl)phenyl]-propyl-amino]pentadecanoic acid

Systemtic Name: 15-oxidanylidene-15-[[2-(4-phosphonobutylsulfanyl)phenyl]-propyl-amino]pentadecanoic acid Openeye Name: 15-oxo-15-[2-(4-phosphonobutylsulfanyl)-N-propyl-anilino]pentadecanoic acid CAS Name: 15-oxo-15-[2-(4-phosphonobutylthio)-N-propylanilino]pentadecanoic acid IUPAC Name: 15-oxo-15-[2-(4-phosphonobutylsulfanyl)-N-propylanilino]pentadecanoic acid Traditional Name: 15-keto-15-[2-(4-phosphonobutylthio)-N-propyl-anilino]pentadecanoic acid Formula: C28H48NO6PS MolecularWeight: 557.722581

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC=C1SCCCCP(=O)(O)O)C(=O)CCCCCCCCCCCCCC(=O)O

Isomeric SMILES

CCCN(C1=CC=CC=C1SCCCCP(=O)(O)O)C(=O)CCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C28H48NO6PS/c1-2-22-29(25-18-14-15-19-26(25)37-24-17-16-23-36(33,34)35)27(30)20-12-10-8-6-4-3-5-7-9-11-13-21-28(31)32/h14-15,18-19H,2-13,16-17,20-24H2,1H3,(H,31,32)(H2,33,34,35)