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

Systemtic Name: disodium 3-[[4-[(4-nitropyridin-2-yl)diazenyl]-3-oxidanidyl-phenyl]-propyl-amino]propane-1-sulfonate Openeye Name: disodium 3-[4-[(4-nitro-2-pyridyl)azo]-3-oxido-N-propyl-anilino]propane-1-sulfonate CAS Name: disodium 3-[4-[(4-nitro-2-pyridinyl)azo]-3-oxido-N-propylanilino]-1-propanesulfonate IUPAC Name: disodium 3-[4-[(4-nitropyridin-2-yl)diazenyl]-3-oxido-N-propylanilino]propane-1-sulfonate Traditional Name: disodium 3-[4-[(4-nitro-2-pyridyl)azo]-3-oxido-N-propyl-anilino]propane-1-sulfonate Formula: C17H19N5Na2O6S MolecularWeight: 467.4072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O6S.2Na/c1-2-8-21(9-3-10-29(26,27)28)13-4-5-15(16(23)11-13)19-20-17-12-14(22(24)25)6-7-18-17;;/h4-7,11-12,23H,2-3,8-10H2,1H3,(H,26,27,28);;/q;2*+1/p-2