[1-heptylsulfanyl-3-[oxidanyl(propoxy)phosphoryl]oxy-propan-2-yl]oxy-octyl-phosphinic acid

Systemtic Name: [1-heptylsulfanyl-3-[oxidanyl(propoxy)phosphoryl]oxy-propan-2-yl]oxy-octyl-phosphinic acid Openeye Name: [1-(heptylsulfanylmethyl)-2-[hydroxy(propoxy)phosphoryl]oxy-ethoxy]-octyl-phosphinic acid CAS Name: [1-(heptylthio)-3-[hydroxy(propoxy)phosphoryl]oxypropan-2-yl]oxy-octylphosphinic acid IUPAC Name: [1-heptylsulfanyl-3-[hydroxy(propoxy)phosphoryl]oxypropan-2-yl]oxy-octylphosphinic acid Traditional Name: [1-[(heptylthio)methyl]-2-[hydroxy(propoxy)phosphoryl]oxy-ethoxy]-octyl-phosphinic acid Formula: C21H46O7P2S MolecularWeight: 504.598262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCP(=O)(O)OC(COP(=O)(O)OCCC)CSCCCCCCC

Isomeric SMILES

CCCCCCCCP(=O)(O)OC(COP(=O)(O)OCCC)CSCCCCCCC

InChI

InChI=1S/C21H46O7P2S/c1-4-7-9-11-12-14-17-29(22,23)28-21(19-27-30(24,25)26-16-6-3)20-31-18-15-13-10-8-5-2/h21H,4-20H2,1-3H3,(H,22,23)(H,24,25)