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

Systemtic Name: 3-[[4-[[2,5-bis(chloranyl)phenyl]diazenyl]phenyl]-ethyl-amino]propane-1-sulfonic acid Openeye Name: 3-[4-(2,5-dichlorophenyl)azo-N-ethyl-anilino]propane-1-sulfonic acid CAS Name: 3-[4-(2,5-dichlorophenyl)azo-N-ethylanilino]-1-propanesulfonic acid IUPAC Name: 3-[4-[(2,5-dichlorophenyl)diazenyl]-N-ethylanilino]propane-1-sulfonic acid Traditional Name: 3-[4-(2,5-dichlorophenyl)azo-N-ethyl-anilino]propane-1-sulfonic acid Formula: C17H19Cl2N3O3S MolecularWeight: 416.32206

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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

Isomeric SMILES

CCN(CCCS(=O)(=O)O)C1=CC=C(C=C1)N=NC2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C17H19Cl2N3O3S/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)