[2-[8-(4-chlorophenyl)sulfanyloctoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium hydroxide

Systemtic Name: [2-[8-(4-chlorophenyl)sulfanyloctoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium hydroxide Openeye Name: [2-[8-(4-chlorophenyl)sulfanyloctoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium hydroxide CAS Name: [2-[8-[(4-chlorophenyl)thio]octoxy-hydroxyphosphoryl]oxy-4-hydroxy-4-oxobutyl]-trimethylammonium hydroxide IUPAC Name: [2-[8-(4-chlorophenyl)sulfanyloctoxy-hydroxyphosphoryl]oxy-4-hydroxy-4-oxobutyl]-trimethylazanium hydroxide Traditional Name: [2-[8-[(4-chlorophenyl)thio]octoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium hydroxide Formula: C21H37ClNO7PS MolecularWeight: 514.012741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)OP(=O)(O)OCCCCCCCCSC1=CC=C(C=C1)Cl.[OH-]

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)O)OP(=O)(O)OCCCCCCCCSC1=CC=C(C=C1)Cl.[OH-]

InChI

InChI=1S/C21H35ClNO6PS.H2O/c1-23(2,3)17-19(16-21(24)25)29-30(26,27)28-14-8-6-4-5-7-9-15-31-20-12-10-18(22)11-13-20;/h10-13,19H,4-9,14-17H2,1-3H3,(H-,24,25,26,27);1H2