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

Systemtic Name: 2-azanyl-5-(4-azanyl-3-methyl-phenyl)-3-methyl-benzenesulfonate; tripentylazanium Openeye Name: 2-amino-5-(4-amino-3-methyl-phenyl)-3-methyl-benzenesulfonate; tripentylammonium CAS Name: 2-amino-5-(4-amino-3-methylphenyl)-3-methylbenzenesulfonate; tripentylammonium IUPAC Name: 2-amino-5-(4-amino-3-methylphenyl)-3-methylbenzenesulfonate; tripentylazanium Traditional Name: 2-amino-5-(4-amino-3-methyl-phenyl)-3-methyl-besylate; triamylammonium Formula: C29H49N3O3S MolecularWeight: 519.78266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H33N.C14H16N2O3S/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;1-8-5-10(3-4-12(8)15)11-6-9(2)14(16)13(7-11)20(17,18)19/h4-15H2,1-3H3;3-7H,15-16H2,1-2H3,(H,17,18,19)