2-[(4-dimethylaminophenyl)diazenyl]-5-(2-iodanylethanoylamino)benzene-1,3-disulfonic acid

Systemtic Name: 2-[(4-dimethylaminophenyl)diazenyl]-5-(2-iodanylethanoylamino)benzene-1,3-disulfonic acid Openeye Name: 2-(4-dimethylaminophenyl)azo-5-[(2-iodoacetyl)amino]benzene-1,3-disulfonic acid CAS Name: 2-(4-dimethylaminophenyl)azo-5-[(2-iodo-1-oxoethyl)amino]benzene-1,3-disulfonic acid IUPAC Name: 2-[(4-dimethylaminophenyl)diazenyl]-5-[(2-iodoacetyl)amino]benzene-1,3-disulfonic acid Traditional Name: 2-(4-dimethylaminophenyl)azo-5-[(2-iodoacetyl)amino]benzene-1,3-disulfonic acid Formula: C16H17IN4O7S2 MolecularWeight: 568.36325

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2S(=O)(=O)O)NC(=O)CI)S(=O)(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2S(=O)(=O)O)NC(=O)CI)S(=O)(=O)O

InChI

InChI=1S/C16H17IN4O7S2/c1-21(2)12-5-3-10(4-6-12)19-20-16-13(29(23,24)25)7-11(18-15(22)9-17)8-14(16)30(26,27)28/h3-8H,9H2,1-2H3,(H,18,22)(H,23,24,25)(H,26,27,28)