benzenesulfonate; triethyl-[4-[4-[4-(triethylazaniumyl)phenyl]phenyl]phenyl]azanium

Systemtic Name: benzenesulfonate; triethyl-[4-[4-[4-(triethylazaniumyl)phenyl]phenyl]phenyl]azanium Openeye Name: benzenesulfonate; triethyl-[4-[4-[4-(triethylammonio)phenyl]phenyl]phenyl]ammonium CAS Name: benzenesulfonate; triethyl-[4-[4-[4-(triethylammonio)phenyl]phenyl]phenyl]ammonium IUPAC Name: benzenesulfonate; triethyl-[4-[4-[4-(triethylazaniumyl)phenyl]phenyl]phenyl]azanium Traditional Name: triethyl-[4-[4-[4-(triethylammonio)phenyl]phenyl]phenyl]ammonium dibesylate Formula: C42H52N2O6S2 MolecularWeight: 745.00208

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](CC)(CC)CC.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+](CC)(CC)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](CC)(CC)CC.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C30H42N2.2C6H6O3S/c1-7-31(8-2,9-3)29-21-17-27(18-22-29)25-13-15-26(16-14-25)28-19-23-30(24-20-28)32(10-4,11-5)12-6;2*7-10(8,9)6-4-2-1-3-5-6/h13-24H,7-12H2,1-6H3;2*1-5H,(H,7,8,9)/q+2;;/p-2