[2-azanyl-4-[2,3-bis(bromanyl)propanoylamino]phenyl] hydrogen sulfate

Systemtic Name: [2-azanyl-4-[2,3-bis(bromanyl)propanoylamino]phenyl] hydrogen sulfate Openeye Name: [2-amino-4-(2,3-dibromopropanoylamino)phenyl] hydrogen sulfate CAS Name: sulfuric acid [2-amino-4-[(2,3-dibromo-1-oxopropyl)amino]phenyl] ester IUPAC Name: [2-amino-4-(2,3-dibromopropanoylamino)phenyl] hydrogen sulfate Traditional Name: sulfuric acid [2-amino-4-(2,3-dibromopropanoylamino)phenyl] ester Formula: C9H10Br2N2O5S MolecularWeight: 418.0591

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C(CBr)Br)N)OS(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C(CBr)Br)N)OS(=O)(=O)O

InChI

InChI=1S/C9H10Br2N2O5S/c10-4-6(11)9(14)13-5-1-2-8(7(12)3-5)18-19(15,16)17/h1-3,6H,4,12H2,(H,13,14)(H,15,16,17)