disodium 2-[[(2,4-dichlorophenyl)diazenyl]-ethyl-amino]-5-sulfonato-benzoate

Systemtic Name: disodium 2-[[(2,4-dichlorophenyl)diazenyl]-ethyl-amino]-5-sulfonato-benzoate Openeye Name: disodium 2-[(2,4-dichlorophenyl)azo-ethyl-amino]-5-sulfonato-benzoate CAS Name: disodium 2-[(2,4-dichlorophenyl)azo-ethylamino]-5-sulfonatobenzoate IUPAC Name: disodium 2-[[(2,4-dichlorophenyl)diazenyl]-ethylamino]-5-sulfonatobenzoate Traditional Name: disodium 2-[(2,4-dichlorophenyl)azo-ethyl-amino]-5-sulfonato-benzoate Formula: C15H11Cl2N3Na2O5S MolecularWeight: 462.21548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13Cl2N3O5S.2Na/c1-2-20(19-18-13-5-3-9(16)7-12(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);;/q;2*+1/p-2