carboxy-methoxycarbonylsulfanyl-methyl-[4-(trifluoromethyl)phenyl]azanium

Systemtic Name: carboxy-methoxycarbonylsulfanyl-methyl-[4-(trifluoromethyl)phenyl]azanium Openeye Name: carboxy-methoxycarbonylsulfanyl-methyl-[4-(trifluoromethyl)phenyl]ammonium CAS Name: carboxy-(methoxycarbonylthio)-methyl-[4-(trifluoromethyl)phenyl]ammonium IUPAC Name: carboxy-methoxycarbonylsulfanyl-methyl-[4-(trifluoromethyl)phenyl]azanium Traditional Name: (carbomethoxythio)-carboxy-methyl-[4-(trifluoromethyl)phenyl]ammonium Formula: C11H11F3NO4S+ MolecularWeight: 310.26955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1=CC=C(C=C1)C(F)(F)F)(C(=O)O)SC(=O)OC

Isomeric SMILES

C[N+](C1=CC=C(C=C1)C(F)(F)F)(C(=O)O)SC(=O)OC

InChI

InChI=1S/C11H10F3NO4S/c1-15(9(16)17,20-10(18)19-2)8-5-3-7(4-6-8)11(12,13)14/h3-6H,1-2H3/p+1