5-azanyl-2-(4-azanyl-2-sulfonato-phenoxy)benzenesulfonate; triethylazanium

Systemtic Name: 5-azanyl-2-(4-azanyl-2-sulfonato-phenoxy)benzenesulfonate; triethylazanium Openeye Name: 5-amino-2-(4-amino-2-sulfonato-phenoxy)benzenesulfonate; triethylammonium CAS Name: 5-amino-2-(4-amino-2-sulfonatophenoxy)benzenesulfonate; triethylammonium IUPAC Name: 5-amino-2-(4-amino-2-sulfonatophenoxy)benzenesulfonate; triethylazanium Traditional Name: 5-amino-2-(4-amino-2-sulfonato-phenoxy)besylate; triethylammonium Formula: C24H42N4O7S2 MolecularWeight: 562.74288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O7S2.2C6H15N/c13-7-1-3-9(11(5-7)22(15,16)17)21-10-4-2-8(14)6-12(10)23(18,19)20;2*1-4-7(5-2)6-3/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20);2*4-6H2,1-3H3