1-hexyl-3,3-dimethyl-2-(4-nitrophenyl)-1-[propoxy(propylsulfanyl)phosphoryl]guanidine

Systemtic Name: 1-hexyl-3,3-dimethyl-2-(4-nitrophenyl)-1-[propoxy(propylsulfanyl)phosphoryl]guanidine Openeye Name: 1-hexyl-3,3-dimethyl-2-(4-nitrophenyl)-1-[propoxy(propylsulfanyl)phosphoryl]guanidine CAS Name: 1-hexyl-3,3-dimethyl-2-(4-nitrophenyl)-1-[propoxy-(propylthio)phosphoryl]guanidine IUPAC Name: 1-hexyl-3,3-dimethyl-2-(4-nitrophenyl)-1-[propoxy(propylsulfanyl)phosphoryl]guanidine Traditional Name: 1-hexyl-3,3-dimethyl-2-(4-nitrophenyl)-1-[propoxy-(propylthio)phosphoryl]guanidine Formula: C21H37N4O4PS MolecularWeight: 472.581641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(=NC1=CC=C(C=C1)[N+](=O)[O-])N(C)C)P(=O)(OCCC)SCCC

Isomeric SMILES

CCCCCCN(C(=NC1=CC=C(C=C1)[N+](=O)[O-])N(C)C)P(=O)(OCCC)SCCC

InChI

InChI=1S/C21H37N4O4PS/c1-6-9-10-11-16-24(30(28,29-17-7-2)31-18-8-3)21(23(4)5)22-19-12-14-20(15-13-19)25(26)27/h12-15H,6-11,16-18H2,1-5H3