2-[3-[6-(4-chlorophenyl)-7-sulfanyl-hexadecan-7-yl]oxypropoxy]-2-oxidanyl-2-phosphoroso-ethanoic acid

Systemtic Name: 2-[3-[6-(4-chlorophenyl)-7-sulfanyl-hexadecan-7-yl]oxypropoxy]-2-oxidanyl-2-phosphoroso-ethanoic acid Openeye Name: 2-[3-[1-[1-(4-chlorophenyl)hexyl]-1-sulfanyl-decoxy]propoxy]-2-hydroxy-2-phosphoroso-acetic acid CAS Name: 2-[3-[6-(4-chlorophenyl)-7-mercaptohexadecan-7-yl]oxypropoxy]-2-hydroxy-2-phosphorosoacetic acid IUPAC Name: 2-[3-[6-(4-chlorophenyl)-7-sulfanylhexadecan-7-yl]oxypropoxy]-2-hydroxy-2-phosphorosoacetic acid Traditional Name: 2-[3-[1-[1-(4-chlorophenyl)hexyl]-1-mercapto-decoxy]propoxy]-2-hydroxy-2-phosphoroso-acetic acid Formula: C27H44ClO6PS MolecularWeight: 563.126421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(CCCCC)C1=CC=C(C=C1)Cl)(OCCCOC(C(=O)O)(O)P=O)S

Isomeric SMILES

CCCCCCCCCC(C(CCCCC)C1=CC=C(C=C1)Cl)(OCCCOC(C(=O)O)(O)P=O)S

InChI

InChI=1S/C27H44ClO6PS/c1-3-5-7-8-9-10-12-19-26(36,33-20-13-21-34-27(31,35-32)25(29)30)24(14-11-6-4-2)22-15-17-23(28)18-16-22/h15-18,24,31,36H,3-14,19-21H2,1-2H3,(H,29,30)