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

Systemtic Name: 5-azanyl-2-(4-azanyl-5-methyl-2-sulfonato-phenyl)-4-methyl-benzenesulfonate; tributylazanium Openeye Name: 5-amino-2-(4-amino-5-methyl-2-sulfonato-phenyl)-4-methyl-benzenesulfonate; tributylammonium CAS Name: 5-amino-2-(4-amino-5-methyl-2-sulfonatophenyl)-4-methylbenzenesulfonate; tributylammonium IUPAC Name: 5-amino-2-(4-amino-5-methyl-2-sulfonatophenyl)-4-methylbenzenesulfonate; tributylazanium Traditional Name: 5-amino-2-(4-amino-5-methyl-2-sulfonato-phenyl)-4-methyl-besylate; tributylammonium Formula: C38H70N4O6S2 MolecularWeight: 743.1156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O6S2.2C12H27N/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*1-4-7-10-13(11-8-5-2)12-9-6-3/h3-6H,15-16H2,1-2H3,(H,17,18,19)(H,20,21,22);2*4-12H2,1-3H3