2-azanyl-5-(4-azanyl-3-methyl-phenyl)-3-methyl-benzenesulfonate; tributylazanium

Systemtic Name: 2-azanyl-5-(4-azanyl-3-methyl-phenyl)-3-methyl-benzenesulfonate; tributylazanium Openeye Name: 2-amino-5-(4-amino-3-methyl-phenyl)-3-methyl-benzenesulfonate; tributylammonium CAS Name: 2-amino-5-(4-amino-3-methylphenyl)-3-methylbenzenesulfonate; tributylammonium IUPAC Name: 2-amino-5-(4-amino-3-methylphenyl)-3-methylbenzenesulfonate; tributylazanium Traditional Name: 2-amino-5-(4-amino-3-methyl-phenyl)-3-methyl-besylate; tributylammonium Formula: C26H43N3O3S MolecularWeight: 477.70292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S.C12H27N/c1-8-5-10(3-4-12(8)15)11-6-9(2)14(16)13(7-11)20(17,18)19;1-4-7-10-13(11-8-5-2)12-9-6-3/h3-7H,15-16H2,1-2H3,(H,17,18,19);4-12H2,1-3H3