bis(3-chloranylphenoxy)phosphorylmethyl-butyl-(carboxymethyl)-prop-2-enylsulfanylcarbonyl-azanium

Systemtic Name: bis(3-chloranylphenoxy)phosphorylmethyl-butyl-(carboxymethyl)-prop-2-enylsulfanylcarbonyl-azanium Openeye Name: allylsulfanylcarbonyl-[bis(3-chlorophenoxy)phosphorylmethyl]-butyl-(carboxymethyl)ammonium CAS Name: bis(3-chlorophenoxy)phosphorylmethyl-butyl-(carboxymethyl)-[oxo-(prop-2-enylthio)methyl]ammonium IUPAC Name: bis(3-chlorophenoxy)phosphorylmethyl-butyl-(carboxymethyl)-prop-2-enylsulfanylcarbonylazanium Traditional Name: (allylthio)carbonyl-[bis(3-chlorophenoxy)phosphorylmethyl]-butyl-(carboxymethyl)ammonium Formula: C23H27Cl2NO6PS+ MolecularWeight: 547.408341

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CC(=O)O)(CP(=O)(OC1=CC(=CC=C1)Cl)OC2=CC(=CC=C2)Cl)C(=O)SCC=C

Isomeric SMILES

CCCC[N+](CC(=O)O)(CP(=O)(OC1=CC(=CC=C1)Cl)OC2=CC(=CC=C2)Cl)C(=O)SCC=C

InChI

InChI=1S/C23H26Cl2NO6PS/c1-3-5-12-26(16-22(27)28,23(29)34-13-4-2)17-33(30,31-20-10-6-8-18(24)14-20)32-21-11-7-9-19(25)15-21/h4,6-11,14-15H,2-3,5,12-13,16-17H2,1H3/p+1