2-azanyl-5-(4-azanylphenoxy)benzenesulfonate; tripentylazanium

Systemtic Name: 2-azanyl-5-(4-azanylphenoxy)benzenesulfonate; tripentylazanium Openeye Name: 2-amino-5-(4-aminophenoxy)benzenesulfonate; tripentylammonium CAS Name: 2-amino-5-(4-aminophenoxy)benzenesulfonate; tripentylammonium IUPAC Name: 2-amino-5-(4-aminophenoxy)benzenesulfonate; tripentylazanium Traditional Name: 2-amino-5-(4-aminophenoxy)besylate; triamylammonium Formula: C27H45N3O4S MolecularWeight: 507.7289

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+](CCCCC)CCCCC.C1=CC(=CC=C1N)OC2=CC(=C(C=C2)N)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC[NH+](CCCCC)CCCCC.C1=CC(=CC=C1N)OC2=CC(=C(C=C2)N)S(=O)(=O)[O-]

InChI

InChI=1S/C15H33N.C12H12N2O4S/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;13-8-1-3-9(4-2-8)18-10-5-6-11(14)12(7-10)19(15,16)17/h4-15H2,1-3H3;1-7H,13-14H2,(H,15,16,17)