disodium 2-[(2-acetamido-4-azanyl-phenyl)diazenyl]benzene-1,4-disulfonate

Systemtic Name: disodium 2-[(2-acetamido-4-azanyl-phenyl)diazenyl]benzene-1,4-disulfonate Openeye Name: disodium 2-(2-acetamido-4-amino-phenyl)azobenzene-1,4-disulfonate CAS Name: disodium 2-(2-acetamido-4-aminophenyl)azobenzene-1,4-disulfonate IUPAC Name: disodium 2-[(2-acetamido-4-aminophenyl)diazenyl]benzene-1,4-disulfonate Traditional Name: disodium 2-(2-acetamido-4-amino-phenyl)azobenzene-1,4-disulfonate Formula: C14H12N4Na2O7S2 MolecularWeight: 458.37722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)N)N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)N)N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H14N4O7S2.2Na/c1-8(19)16-12-6-9(15)2-4-11(12)17-18-13-7-10(26(20,21)22)3-5-14(13)27(23,24)25;;/h2-7H,15H2,1H3,(H,16,19)(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2