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

Systemtic Name: 5-azanyl-2-(4-azanyl-5-methyl-2-sulfonato-phenyl)-4-methyl-benzenesulfonate; tripentylazanium Openeye Name: 5-amino-2-(4-amino-5-methyl-2-sulfonato-phenyl)-4-methyl-benzenesulfonate; tripentylammonium CAS Name: 5-amino-2-(4-amino-5-methyl-2-sulfonatophenyl)-4-methylbenzenesulfonate; tripentylammonium IUPAC Name: 5-amino-2-(4-amino-5-methyl-2-sulfonatophenyl)-4-methylbenzenesulfonate; tripentylazanium Traditional Name: 5-amino-2-(4-amino-5-methyl-2-sulfonato-phenyl)-4-methyl-besylate; triamylammonium Formula: C44H82N4O6S2 MolecularWeight: 827.27508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H33N.C14H16N2O6S2/c2*1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;1-7-3-9(13(5-11(7)15)23(17,18)19)10-4-8(2)12(16)6-14(10)24(20,21)22/h2*4-15H2,1-3H3;3-6H,15-16H2,1-2H3,(H,17,18,19)(H,20,21,22)