diazanium 3,4-didodecyl-2-(2-sulfonatophenoxy)benzenesulfonate

Systemtic Name: diazanium 3,4-didodecyl-2-(2-sulfonatophenoxy)benzenesulfonate Openeye Name: diammonium 3,4-didodecyl-2-(2-sulfonatophenoxy)benzenesulfonate CAS Name: diammonium 3,4-didodecyl-2-(2-sulfonatophenoxy)benzenesulfonate IUPAC Name: diazanium 3,4-didodecyl-2-(2-sulfonatophenoxy)benzenesulfonate Traditional Name: diammonium 3,4-dilauryl-2-(2-sulfonatophenoxy)besylate Formula: C36H64N2O7S2 MolecularWeight: 701.03256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)[O-])OC2=CC=CC=C2S(=O)(=O)[O-])CCCCCCCCCCCC.[NH4+].[NH4+]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)[O-])OC2=CC=CC=C2S(=O)(=O)[O-])CCCCCCCCCCCC.[NH4+].[NH4+]

InChI

InChI=1S/C36H58O7S2.2H3N/c1-3-5-7-9-11-13-15-17-19-21-25-31-29-30-35(45(40,41)42)36(43-33-27-23-24-28-34(33)44(37,38)39)32(31)26-22-20-18-16-14-12-10-8-6-4-2;;/h23-24,27-30H,3-22,25-26H2,1-2H3,(H,37,38,39)(H,40,41,42);2*1H3