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

Systemtic Name: 5-azanyl-2-(4-azanylphenoxy)benzenesulfonate; triethylazanium Openeye Name: 5-amino-2-(4-aminophenoxy)benzenesulfonate; triethylammonium CAS Name: 5-amino-2-(4-aminophenoxy)benzenesulfonate; triethylammonium IUPAC Name: 5-amino-2-(4-aminophenoxy)benzenesulfonate; triethylazanium Traditional Name: 5-amino-2-(4-aminophenoxy)besylate; triethylammonium Formula: C18H27N3O4S MolecularWeight: 381.48968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4S.C6H15N/c13-8-1-4-10(5-2-8)18-11-6-3-9(14)7-12(11)19(15,16)17;1-4-7(5-2)6-3/h1-7H,13-14H2,(H,15,16,17);4-6H2,1-3H3