5-azanyl-2-methyl-4-[(4-methyl-3-sulfonato-phenyl)diazenyl]benzenesulfonate

Systemtic Name: 5-azanyl-2-methyl-4-[(4-methyl-3-sulfonato-phenyl)diazenyl]benzenesulfonate Openeye Name: 5-amino-2-methyl-4-(4-methyl-3-sulfonato-phenyl)azo-benzenesulfonate CAS Name: 5-amino-2-methyl-4-(4-methyl-3-sulfonatophenyl)azobenzenesulfonate IUPAC Name: 5-amino-2-methyl-4-[(4-methyl-3-sulfonatophenyl)diazenyl]benzenesulfonate Traditional Name: 5-amino-2-methyl-4-(4-methyl-3-sulfonato-phenyl)azo-besylate Formula: C14H13N3O6S2-2 MolecularWeight: 383.39952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=NC2=C(C=C(C(=C2)C)S(=O)(=O)[O-])N)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N=NC2=C(C=C(C(=C2)C)S(=O)(=O)[O-])N)S(=O)(=O)[O-]

InChI

InChI=1S/C14H15N3O6S2/c1-8-3-4-10(6-13(8)24(18,19)20)16-17-12-5-9(2)14(7-11(12)15)25(21,22)23/h3-7H,15H2,1-2H3,(H,18,19,20)(H,21,22,23)/p-2