3-[1-[11-(4-tert-butylphenoxy)-9-sulfanyl-octadecan-9-yl]oxypropoxy]-2-oxidanyl-2-phosphoroso-propanoic acid

Systemtic Name: 3-[1-[11-(4-tert-butylphenoxy)-9-sulfanyl-octadecan-9-yl]oxypropoxy]-2-oxidanyl-2-phosphoroso-propanoic acid Openeye Name: 3-[1-[3-(4-tert-butylphenoxy)-1-octyl-1-sulfanyl-decoxy]propoxy]-2-hydroxy-2-phosphoroso-propanoic acid CAS Name: 3-[1-[11-(4-tert-butylphenoxy)-9-mercaptooctadecan-9-yl]oxypropoxy]-2-hydroxy-2-phosphorosopropanoic acid IUPAC Name: 3-[1-[11-(4-tert-butylphenoxy)-9-sulfanyloctadecan-9-yl]oxypropoxy]-2-hydroxy-2-phosphorosopropanoic acid Traditional Name: 3-[1-[3-(4-tert-butylphenoxy)-1-mercapto-1-octyl-decoxy]propoxy]-2-hydroxy-2-phosphoroso-propionic acid Formula: C34H59O7PS MolecularWeight: 642.866821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(CCCCCCC)OC1=CC=C(C=C1)C(C)(C)C)(OC(CC)OCC(C(=O)O)(O)P=O)S

Isomeric SMILES

CCCCCCCCC(CC(CCCCCCC)OC1=CC=C(C=C1)C(C)(C)C)(OC(CC)OCC(C(=O)O)(O)P=O)S

InChI

InChI=1S/C34H59O7PS/c1-7-10-12-14-16-18-24-33(43,41-30(9-3)39-26-34(37,42-38)31(35)36)25-29(19-17-15-13-11-8-2)40-28-22-20-27(21-23-28)32(4,5)6/h20-23,29-30,37,43H,7-19,24-26H2,1-6H3,(H,35,36)