2-[ethoxy(propylsulfanyl)phosphoryl]oxy-2-heptyl-nonanenitrile

Systemtic Name: 2-[ethoxy(propylsulfanyl)phosphoryl]oxy-2-heptyl-nonanenitrile Openeye Name: 2-[ethoxy(propylsulfanyl)phosphoryl]oxy-2-heptyl-nonanenitrile CAS Name: 2-[ethoxy-(propylthio)phosphoryl]oxy-2-heptylnonanenitrile IUPAC Name: 2-[ethoxy(propylsulfanyl)phosphoryl]oxy-2-heptylnonanenitrile Traditional Name: 2-[ethoxy-(propylthio)phosphoryl]oxy-2-heptyl-pelargononitrile Formula: C21H42NO3PS MolecularWeight: 419.601841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCCCCC)(C#N)OP(=O)(OCC)SCCC

Isomeric SMILES

CCCCCCCC(CCCCCCC)(C#N)OP(=O)(OCC)SCCC

InChI

InChI=1S/C21H42NO3PS/c1-5-9-11-13-15-17-21(20-22,18-16-14-12-10-6-2)25-26(23,24-8-4)27-19-7-3/h5-19H2,1-4H3