2-oxidanyl-2-[1-(13-phenyl-10-sulfanyl-henicosan-10-yl)oxypropoxy]-2-phosphoroso-ethanoic acid

Systemtic Name: 2-oxidanyl-2-[1-(13-phenyl-10-sulfanyl-henicosan-10-yl)oxypropoxy]-2-phosphoroso-ethanoic acid Openeye Name: 2-hydroxy-2-[1-(1-nonyl-4-phenyl-1-sulfanyl-dodecoxy)propoxy]-2-phosphoroso-acetic acid CAS Name: 2-hydroxy-2-[1-(10-mercapto-13-phenylheneicosan-10-yl)oxypropoxy]-2-phosphorosoacetic acid IUPAC Name: 2-hydroxy-2-[1-(13-phenyl-10-sulfanylhenicosan-10-yl)oxypropoxy]-2-phosphorosoacetic acid Traditional Name: 2-hydroxy-2-[1-(1-mercapto-1-nonyl-4-phenyl-dodecoxy)propoxy]-2-phosphoroso-acetic acid Formula: C32H55O6PS MolecularWeight: 598.814261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCC(CCCCCCCC)C1=CC=CC=C1)(OC(CC)OC(C(=O)O)(O)P=O)S

Isomeric SMILES

CCCCCCCCCC(CCC(CCCCCCCC)C1=CC=CC=C1)(OC(CC)OC(C(=O)O)(O)P=O)S

InChI

InChI=1S/C32H55O6PS/c1-4-7-9-11-13-15-20-25-31(40,37-29(6-3)38-32(35,39-36)30(33)34)26-24-28(27-21-18-16-19-22-27)23-17-14-12-10-8-5-2/h16,18-19,21-22,28-29,35,40H,4-15,17,20,23-26H2,1-3H3,(H,33,34)