2-[(2-acetamido-4-azanyl-phenyl)diazenyl]-5-methyl-benzene-1,3-disulfonic acid

Systemtic Name: 2-[(2-acetamido-4-azanyl-phenyl)diazenyl]-5-methyl-benzene-1,3-disulfonic acid Openeye Name: 2-(2-acetamido-4-amino-phenyl)azo-5-methyl-benzene-1,3-disulfonic acid CAS Name: 2-(2-acetamido-4-aminophenyl)azo-5-methylbenzene-1,3-disulfonic acid IUPAC Name: 2-[(2-acetamido-4-aminophenyl)diazenyl]-5-methylbenzene-1,3-disulfonic acid Traditional Name: 2-(2-acetamido-4-amino-phenyl)azo-5-methyl-benzene-1,3-disulfonic acid Formula: C15H16N4O7S2 MolecularWeight: 428.44014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)O)N=NC2=C(C=C(C=C2)N)NC(=O)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)O)N=NC2=C(C=C(C=C2)N)NC(=O)C)S(=O)(=O)O

InChI

InChI=1S/C15H16N4O7S2/c1-8-5-13(27(21,22)23)15(14(6-8)28(24,25)26)19-18-11-4-3-10(16)7-12(11)17-9(2)20/h3-7H,16H2,1-2H3,(H,17,20)(H,21,22,23)(H,24,25,26)