disodium 3-[[4-[(5-bromanylpyridin-2-yl)diazenyl]-3-oxidanidyl-phenyl]-propyl-amino]propane-1-sulfonate

Systemtic Name: disodium 3-[[4-[(5-bromanylpyridin-2-yl)diazenyl]-3-oxidanidyl-phenyl]-propyl-amino]propane-1-sulfonate Openeye Name: disodium 3-[4-[(5-bromo-2-pyridyl)azo]-3-oxido-N-propyl-anilino]propane-1-sulfonate CAS Name: disodium 3-[4-[(5-bromo-2-pyridinyl)azo]-3-oxido-N-propylanilino]-1-propanesulfonate IUPAC Name: disodium 3-[4-[(5-bromopyridin-2-yl)diazenyl]-3-oxido-N-propylanilino]propane-1-sulfonate Traditional Name: disodium 3-[4-[(5-bromo-2-pyridyl)azo]-3-oxido-N-propyl-anilino]propane-1-sulfonate Formula: C17H19BrN4Na2O4S MolecularWeight: 501.3057

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCS(=O)(=O)[O-])C1=CC(=C(C=C1)N=NC2=NC=C(C=C2)Br)[O-].[Na+].[Na+]

Isomeric SMILES

CCCN(CCCS(=O)(=O)[O-])C1=CC(=C(C=C1)N=NC2=NC=C(C=C2)Br)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H21BrN4O4S.2Na/c1-2-8-22(9-3-10-27(24,25)26)14-5-6-15(16(23)11-14)20-21-17-7-4-13(18)12-19-17;;/h4-7,11-12,23H,2-3,8-10H2,1H3,(H,24,25,26);;/q;2*+1/p-2