2-oxidanyl-3-[1-(9-phenoxy-7-sulfanyl-hexadecan-7-yl)oxypropoxy]-2-phosphoroso-propanoic acid

Systemtic Name: 2-oxidanyl-3-[1-(9-phenoxy-7-sulfanyl-hexadecan-7-yl)oxypropoxy]-2-phosphoroso-propanoic acid Openeye Name: 3-[1-(1-hexyl-3-phenoxy-1-sulfanyl-decoxy)propoxy]-2-hydroxy-2-phosphoroso-propanoic acid CAS Name: 2-hydroxy-3-[1-(7-mercapto-9-phenoxyhexadecan-7-yl)oxypropoxy]-2-phosphorosopropanoic acid IUPAC Name: 2-hydroxy-3-[1-(9-phenoxy-7-sulfanylhexadecan-7-yl)oxypropoxy]-2-phosphorosopropanoic acid Traditional Name: 3-[1-(1-hexyl-1-mercapto-3-phenoxy-decoxy)propoxy]-2-hydroxy-2-phosphoroso-propionic acid Formula: C28H47O7PS MolecularWeight: 558.707341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC(CCCCCC)(OC(CC)OCC(C(=O)O)(O)P=O)S)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(CC(CCCCCC)(OC(CC)OCC(C(=O)O)(O)P=O)S)OC1=CC=CC=C1

InChI

InChI=1S/C28H47O7PS/c1-4-7-9-11-13-19-24(34-23-17-14-12-15-18-23)21-27(37,20-16-10-8-5-2)35-25(6-3)33-22-28(31,36-32)26(29)30/h12,14-15,17-18,24-25,31,37H,4-11,13,16,19-22H2,1-3H3,(H,29,30)