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

Systemtic Name: 2-[1-[11-(4-tert-butylphenoxy)-9-sulfanyl-octadecan-9-yl]oxypropoxy]-2-oxidanyl-2-phosphoroso-ethanoic acid Openeye Name: 2-[1-[3-(4-tert-butylphenoxy)-1-octyl-1-sulfanyl-decoxy]propoxy]-2-hydroxy-2-phosphoroso-acetic acid CAS Name: 2-[1-[11-(4-tert-butylphenoxy)-9-mercaptooctadecan-9-yl]oxypropoxy]-2-hydroxy-2-phosphorosoacetic acid IUPAC Name: 2-[1-[11-(4-tert-butylphenoxy)-9-sulfanyloctadecan-9-yl]oxypropoxy]-2-hydroxy-2-phosphorosoacetic acid Traditional Name: 2-[1-[3-(4-tert-butylphenoxy)-1-mercapto-1-octyl-decoxy]propoxy]-2-hydroxy-2-phosphoroso-acetic acid Formula: C33H57O7PS MolecularWeight: 628.840241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H57O7PS/c1-7-10-12-14-16-18-24-32(42,39-29(9-3)40-33(36,41-37)30(34)35)25-28(19-17-15-13-11-8-2)38-27-22-20-26(21-23-27)31(4,5)6/h20-23,28-29,36,42H,7-19,24-25H2,1-6H3,(H,34,35)