[4-azanyl-2,6-bis(bromanyl)phenyl]-propyl-disulfo-azanium

Systemtic Name: [4-azanyl-2,6-bis(bromanyl)phenyl]-propyl-disulfo-azanium Openeye Name: (4-amino-2,6-dibromo-phenyl)-propyl-disulfo-ammonium CAS Name: (4-amino-2,6-dibromophenyl)-propyl-disulfoammonium IUPAC Name: (4-amino-2,6-dibromophenyl)-propyl-disulfoazanium Traditional Name: (4-amino-2,6-dibromo-phenyl)-propyl-disulfo-ammonium Formula: C9H13Br2N2O6S2+ MolecularWeight: 469.14732

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C1=C(C=C(C=C1Br)N)Br)(S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC[N+](C1=C(C=C(C=C1Br)N)Br)(S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C9H12Br2N2O6S2/c1-2-3-13(20(14,15)16,21(17,18)19)9-7(10)4-6(12)5-8(9)11/h4-5H,2-3,12H2,1H3,(H-,14,15,16,17,18,19)/p+1