5-azanyl-2-(4-azanyl-5-methyl-2-sulfonato-phenyl)-4-methyl-benzenesulfonate; trimethylazanium

Systemtic Name: 5-azanyl-2-(4-azanyl-5-methyl-2-sulfonato-phenyl)-4-methyl-benzenesulfonate; trimethylazanium Openeye Name: 5-amino-2-(4-amino-5-methyl-2-sulfonato-phenyl)-4-methyl-benzenesulfonate; trimethylammonium CAS Name: 5-amino-2-(4-amino-5-methyl-2-sulfonatophenyl)-4-methylbenzenesulfonate; trimethylammonium IUPAC Name: 5-amino-2-(4-amino-5-methyl-2-sulfonatophenyl)-4-methylbenzenesulfonate; trimethylazanium Traditional Name: 5-amino-2-(4-amino-5-methyl-2-sulfonato-phenyl)-4-methyl-besylate; trimethylammonium Formula: C20H34N4O6S2 MolecularWeight: 490.63716

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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.C[NH+](C)C.C[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O6S2.2C3H9N/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;2*1-4(2)3/h3-6H,15-16H2,1-2H3,(H,17,18,19)(H,20,21,22);2*1-3H3