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

Systemtic Name: 2-[3-[6-(4-chlorophenyl)-7-sulfanyl-hexadecan-7-yl]oxypropoxy]-2-phosphoroso-propanoic acid Openeye Name: 2-[3-[1-[1-(4-chlorophenyl)hexyl]-1-sulfanyl-decoxy]propoxy]-2-phosphoroso-propanoic acid CAS Name: 2-[3-[6-(4-chlorophenyl)-7-mercaptohexadecan-7-yl]oxypropoxy]-2-phosphorosopropanoic acid IUPAC Name: 2-[3-[6-(4-chlorophenyl)-7-sulfanylhexadecan-7-yl]oxypropoxy]-2-phosphorosopropanoic acid Traditional Name: 2-[3-[1-[1-(4-chlorophenyl)hexyl]-1-mercapto-decoxy]propoxy]-2-phosphoroso-propionic acid Formula: C28H46ClO5PS MolecularWeight: 561.153601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46ClO5PS/c1-4-6-8-9-10-11-13-20-28(36,34-22-14-21-33-27(3,35-32)26(30)31)25(15-12-7-5-2)23-16-18-24(29)19-17-23/h16-19,25,36H,4-15,20-22H2,1-3H3,(H,30,31)