2-[[2-acetamido-5-methoxy-4-(methylamino)phenyl]diazenyl]benzene-1,4-disulfonic acid

Systemtic Name: 2-[[2-acetamido-5-methoxy-4-(methylamino)phenyl]diazenyl]benzene-1,4-disulfonic acid Openeye Name: 2-[2-acetamido-5-methoxy-4-(methylamino)phenyl]azobenzene-1,4-disulfonic acid CAS Name: 2-[2-acetamido-5-methoxy-4-(methylamino)phenyl]azobenzene-1,4-disulfonic acid IUPAC Name: 2-[[2-acetamido-5-methoxy-4-(methylamino)phenyl]diazenyl]benzene-1,4-disulfonic acid Traditional Name: 2-[2-acetamido-5-methoxy-4-(methylamino)phenyl]azobenzene-1,4-disulfonic acid Formula: C16H18N4O8S2 MolecularWeight: 458.46612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)OC)NC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)OC)NC

InChI

InChI=1S/C16H18N4O8S2/c1-9(21)18-11-7-13(17-2)15(28-3)8-12(11)19-20-14-6-10(29(22,23)24)4-5-16(14)30(25,26)27/h4-8,17H,1-3H3,(H,18,21)(H,22,23,24)(H,25,26,27)