2-[1-(3-nonyl-1-sulfanyl-pentadecoxy)propoxy]-2-oxidanyl-2-phosphoroso-ethanoic acid

Systemtic Name: 2-[1-(3-nonyl-1-sulfanyl-pentadecoxy)propoxy]-2-oxidanyl-2-phosphoroso-ethanoic acid Openeye Name: 2-hydroxy-2-[1-(3-nonyl-1-sulfanyl-pentadecoxy)propoxy]-2-phosphoroso-acetic acid CAS Name: 2-hydroxy-2-[1-(1-mercapto-3-nonylpentadecoxy)propoxy]-2-phosphorosoacetic acid IUPAC Name: 2-hydroxy-2-[1-(3-nonyl-1-sulfanylpentadecoxy)propoxy]-2-phosphorosoacetic acid Traditional Name: 2-hydroxy-2-[1-(1-mercapto-3-nonyl-pentadecoxy)propoxy]-2-phosphoroso-acetic acid Formula: C29H57O6PS MolecularWeight: 564.798041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCC)CC(OC(CC)OC(C(=O)O)(O)P=O)S

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCC)CC(OC(CC)OC(C(=O)O)(O)P=O)S

InChI

InChI=1S/C29H57O6PS/c1-4-7-9-11-13-14-15-17-19-21-23-25(22-20-18-16-12-10-8-5-2)24-27(37)34-26(6-3)35-29(32,36-33)28(30)31/h25-27,32,37H,4-24H2,1-3H3,(H,30,31)