2-[[[2,5-bis(chloranyl)phenyl]diazenyl]-ethyl-amino]-5-sulfo-benzoic acid

Systemtic Name: 2-[[[2,5-bis(chloranyl)phenyl]diazenyl]-ethyl-amino]-5-sulfo-benzoic acid Openeye Name: 2-[(2,5-dichlorophenyl)azo-ethyl-amino]-5-sulfo-benzoic acid CAS Name: 2-[(2,5-dichlorophenyl)azo-ethylamino]-5-sulfobenzoic acid IUPAC Name: 2-[[(2,5-dichlorophenyl)diazenyl]-ethylamino]-5-sulfobenzoic acid Traditional Name: 2-[(2,5-dichlorophenyl)azo-ethyl-amino]-5-sulfo-benzoic acid Formula: C15H13Cl2N3O5S MolecularWeight: 418.25182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13Cl2N3O5S/c1-2-20(19-18-13-7-9(16)3-5-12(13)17)14-6-4-10(26(23,24)25)8-11(14)15(21)22/h3-8H,2H2,1H3,(H,21,22)(H,23,24,25)