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

Systemtic Name: 5-azanyl-2-(4-azanyl-2-sulfonato-phenyl)benzenesulfonate; tripentylazanium Openeye Name: 5-amino-2-(4-amino-2-sulfonato-phenyl)benzenesulfonate; tripentylammonium CAS Name: 5-amino-2-(4-amino-2-sulfonatophenyl)benzenesulfonate; tripentylammonium IUPAC Name: 5-amino-2-(4-amino-2-sulfonatophenyl)benzenesulfonate; tripentylazanium Traditional Name: 5-amino-2-(4-amino-2-sulfonato-phenyl)besylate; triamylammonium Formula: C42H78N4O6S2 MolecularWeight: 799.22192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+](CCCCC)CCCCC.CCCCC[NH+](CCCCC)CCCCC.C1=CC(=C(C=C1N)S(=O)(=O)[O-])C2=C(C=C(C=C2)N)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC[NH+](CCCCC)CCCCC.CCCCC[NH+](CCCCC)CCCCC.C1=CC(=C(C=C1N)S(=O)(=O)[O-])C2=C(C=C(C=C2)N)S(=O)(=O)[O-]

InChI

InChI=1S/2C15H33N.C12H12N2O6S2/c2*1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;13-7-1-3-9(11(5-7)21(15,16)17)10-4-2-8(14)6-12(10)22(18,19)20/h2*4-15H2,1-3H3;1-6H,13-14H2,(H,15,16,17)(H,18,19,20)