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

Systemtic Name: 2-oxidanyl-2-[1-(9-phenoxy-7-sulfanyl-hexadecan-7-yl)oxypropoxy]-2-phosphoroso-ethanoic acid Openeye Name: 2-[1-(1-hexyl-3-phenoxy-1-sulfanyl-decoxy)propoxy]-2-hydroxy-2-phosphoroso-acetic acid CAS Name: 2-hydroxy-2-[1-(7-mercapto-9-phenoxyhexadecan-7-yl)oxypropoxy]-2-phosphorosoacetic acid IUPAC Name: 2-hydroxy-2-[1-(9-phenoxy-7-sulfanylhexadecan-7-yl)oxypropoxy]-2-phosphorosoacetic acid Traditional Name: 2-[1-(1-hexyl-1-mercapto-3-phenoxy-decoxy)propoxy]-2-hydroxy-2-phosphoroso-acetic acid Formula: C27H45O7PS MolecularWeight: 544.680761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45O7PS/c1-4-7-9-11-13-19-23(32-22-17-14-12-15-18-22)21-26(36,20-16-10-8-5-2)33-24(6-3)34-27(30,35-31)25(28)29/h12,14-15,17-18,23-24,30,36H,4-11,13,16,19-21H2,1-3H3,(H,28,29)