sodium 3-[[4-[[2,5-bis(chloranyl)phenyl]diazenyl]phenyl]-ethyl-amino]propane-1-sulfonate

Systemtic Name: sodium 3-[[4-[[2,5-bis(chloranyl)phenyl]diazenyl]phenyl]-ethyl-amino]propane-1-sulfonate Openeye Name: sodium 3-[4-(2,5-dichlorophenyl)azo-N-ethyl-anilino]propane-1-sulfonate CAS Name: sodium 3-[4-(2,5-dichlorophenyl)azo-N-ethylanilino]-1-propanesulfonate IUPAC Name: sodium 3-[4-[(2,5-dichlorophenyl)diazenyl]-N-ethylanilino]propane-1-sulfonate Traditional Name: sodium 3-[4-(2,5-dichlorophenyl)azo-N-ethyl-anilino]propane-1-sulfonate Formula: C17H18Cl2N3NaO3S MolecularWeight: 438.30389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19Cl2N3O3S.Na/c1-2-22(10-3-11-26(23,24)25)15-7-5-14(6-8-15)20-21-17-12-13(18)4-9-16(17)19;/h4-9,12H,2-3,10-11H2,1H3,(H,23,24,25);/q;+1/p-1