S-propyl N-[3,7-bis(chloranyl)-11-oxidanylidene-5-(trichloromethyl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]carbamothioate

Systemtic Name: S-propyl N-[3,7-bis(chloranyl)-11-oxidanylidene-5-(trichloromethyl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]carbamothioate Openeye Name: S-propyl N-[3,7-dichloro-11-oxo-5-(trichloromethyl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]carbamothioate CAS Name: N-[3,7-dichloro-11-oxo-5-(trichloromethyl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]carbamothioic acid S-propyl ester IUPAC Name: S-propyl N-[3,7-dichloro-11-oxo-5-(trichloromethyl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]carbamothioate Traditional Name: N-[3,7-dichloro-11-keto-5-(trichloromethyl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]thiocarbamic acid S-propyl ester Formula: C18H15Cl5NO4PS MolecularWeight: 549.619761

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=O)NP1(=O)OC2=C(C=C(C=C2)Cl)C(C3=C(O1)C=CC(=C3)Cl)C(Cl)(Cl)Cl

Isomeric SMILES

CCCSC(=O)NP1(=O)OC2=C(C=C(C=C2)Cl)C(C3=C(O1)C=CC(=C3)Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C18H15Cl5NO4PS/c1-2-7-30-17(25)24-29(26)27-14-5-3-10(19)8-12(14)16(18(21,22)23)13-9-11(20)4-6-15(13)28-29/h3-6,8-9,16H,2,7H2,1H3,(H,24,25,26)