carboxy-(carboxy-ethyl-phenylsulfanyl-azaniumyl)peroxy-ethyl-phenylsulfanyl-azanium

Systemtic Name: carboxy-(carboxy-ethyl-phenylsulfanyl-azaniumyl)peroxy-ethyl-phenylsulfanyl-azanium Openeye Name: carboxy-(carboxy-ethyl-phenylsulfanyl-ammonio)peroxy-ethyl-phenylsulfanyl-ammonium CAS Name: carboxy-[carboxy-ethyl-(phenylthio)ammonio]dioxy-ethyl-(phenylthio)ammonium IUPAC Name: carboxy-(carboxy-ethyl-phenylsulfanylazaniumyl)peroxy-ethyl-phenylsulfanylazanium Traditional Name: carboxy-[carboxy-ethyl-(phenylthio)ammonio]peroxy-ethyl-(phenylthio)ammonium Formula: C18H22N2O6S2+2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C(=O)O)(OO[N+](CC)(C(=O)O)SC1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CC[N+](C(=O)O)(OO[N+](CC)(C(=O)O)SC1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O6S2/c1-3-19(17(21)22,27-15-11-7-5-8-12-15)25-26-20(4-2,18(23)24)28-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3/p+2