sulfonatooxy sulfate; tetrakis(phenylmethyl)azanium

Systemtic Name: sulfonatooxy sulfate; tetrakis(phenylmethyl)azanium Openeye Name: sulfonatooxy sulfate; tetrabenzylammonium CAS Name: sulfonatooxy sulfate; tetrakis(phenylmethyl)ammonium IUPAC Name: sulfonatooxy sulfate; tetrabenzylazanium Traditional Name: sulfato sulfate; tetrabenzylammonium Formula: C56H56N2O8S2 MolecularWeight: 949.18244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+](CC2=CC=CC=C2)(CC3=CC=CC=C3)CC4=CC=CC=C4.C1=CC=C(C=C1)C[N+](CC2=CC=CC=C2)(CC3=CC=CC=C3)CC4=CC=CC=C4.[O-]S(=O)(=O)OOS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+](CC2=CC=CC=C2)(CC3=CC=CC=C3)CC4=CC=CC=C4.C1=CC=C(C=C1)C[N+](CC2=CC=CC=C2)(CC3=CC=CC=C3)CC4=CC=CC=C4.[O-]S(=O)(=O)OOS(=O)(=O)[O-]

InChI

InChI=1S/2C28H28N.H2O8S2/c2*1-5-13-25(14-6-1)21-29(22-26-15-7-2-8-16-26,23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28;1-9(2,3)7-8-10(4,5)6/h2*1-20H,21-24H2;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2