2-oxidanyl-3-[1-(13-phenyl-10-sulfanyl-henicosan-10-yl)oxypropoxy]-2-phosphoroso-propanoic acid

Systemtic Name: 2-oxidanyl-3-[1-(13-phenyl-10-sulfanyl-henicosan-10-yl)oxypropoxy]-2-phosphoroso-propanoic acid Openeye Name: 2-hydroxy-3-[1-(1-nonyl-4-phenyl-1-sulfanyl-dodecoxy)propoxy]-2-phosphoroso-propanoic acid CAS Name: 2-hydroxy-3-[1-(10-mercapto-13-phenylheneicosan-10-yl)oxypropoxy]-2-phosphorosopropanoic acid IUPAC Name: 2-hydroxy-3-[1-(13-phenyl-10-sulfanylhenicosan-10-yl)oxypropoxy]-2-phosphorosopropanoic acid Traditional Name: 2-hydroxy-3-[1-(1-mercapto-1-nonyl-4-phenyl-dodecoxy)propoxy]-2-phosphoroso-propionic acid Formula: C33H57O6PS MolecularWeight: 612.840841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H57O6PS/c1-4-7-9-11-13-15-20-25-32(41,39-30(6-3)38-27-33(36,40-37)31(34)35)26-24-29(28-21-18-16-19-22-28)23-17-14-12-10-8-5-2/h16,18-19,21-22,29-30,36,41H,4-15,17,20,23-27H2,1-3H3,(H,34,35)