2-[(3-carboxy-4-nitro-phenyl)disulfanyl]ethyl-trimethyl-azanium

Systemtic Name: 2-[(3-carboxy-4-nitro-phenyl)disulfanyl]ethyl-trimethyl-azanium Openeye Name: 2-[(3-carboxy-4-nitro-phenyl)disulfanyl]ethyl-trimethyl-ammonium CAS Name: 2-[(3-carboxy-4-nitrophenyl)disulfanyl]ethyl-trimethylammonium IUPAC Name: 2-[(3-carboxy-4-nitrophenyl)disulfanyl]ethyl-trimethylazanium Traditional Name: 2-[(3-carboxy-4-nitro-phenyl)disulfanyl]ethyl-trimethyl-ammonium Formula: C12H17N2O4S2+ MolecularWeight: 317.40438

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCSSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C[N+](C)(C)CCSSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H16N2O4S2/c1-14(2,3)6-7-19-20-9-4-5-11(13(17)18)10(8-9)12(15)16/h4-5,8H,6-7H2,1-3H3/p+1