azanium 5-azanyl-2-(4-azanyl-5-methyl-2-sulfonato-phenyl)-4-methyl-benzenesulfonate

Systemtic Name: azanium 5-azanyl-2-(4-azanyl-5-methyl-2-sulfonato-phenyl)-4-methyl-benzenesulfonate Openeye Name: ammonium 5-amino-2-(4-amino-5-methyl-2-sulfonato-phenyl)-4-methyl-benzenesulfonate CAS Name: ammonium 5-amino-2-(4-amino-5-methyl-2-sulfonatophenyl)-4-methylbenzenesulfonate IUPAC Name: azanium 5-amino-2-(4-amino-5-methyl-2-sulfonatophenyl)-4-methylbenzenesulfonate Traditional Name: ammonium 5-amino-2-(4-amino-5-methyl-2-sulfonato-phenyl)-4-methyl-besylate Formula: C14H18N3O6S2- MolecularWeight: 388.43922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=CC(=C(C=C2S(=O)(=O)[O-])N)C)S(=O)(=O)[O-])N.[NH4+]

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=CC(=C(C=C2S(=O)(=O)[O-])N)C)S(=O)(=O)[O-])N.[NH4+]

InChI

InChI=1S/C14H16N2O6S2.H3N/c1-7-3-9(13(5-11(7)15)23(17,18)19)10-4-8(2)12(16)6-14(10)24(20,21)22;/h3-6H,15-16H2,1-2H3,(H,17,18,19)(H,20,21,22);1H3/p-1