2-[(4-aminophenyl)amino]-5-azanyl-benzenesulfonate; tripentylazanium

Systemtic Name: 2-[(4-aminophenyl)amino]-5-azanyl-benzenesulfonate; tripentylazanium Openeye Name: 5-amino-2-(4-aminoanilino)benzenesulfonate; tripentylammonium CAS Name: 5-amino-2-(4-aminoanilino)benzenesulfonate; tripentylammonium IUPAC Name: 5-amino-2-(4-aminoanilino)benzenesulfonate; tripentylazanium Traditional Name: 5-amino-2-(4-aminoanilino)besylate; triamylammonium Formula: C27H46N4O3S MolecularWeight: 506.74414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+](CCCCC)CCCCC.C1=CC(=CC=C1N)NC2=C(C=C(C=C2)N)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC[NH+](CCCCC)CCCCC.C1=CC(=CC=C1N)NC2=C(C=C(C=C2)N)S(=O)(=O)[O-]

InChI

InChI=1S/C15H33N.C12H13N3O3S/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;13-8-1-4-10(5-2-8)15-11-6-3-9(14)7-12(11)19(16,17)18/h4-15H2,1-3H3;1-7,15H,13-14H2,(H,16,17,18)