benzenesulfonate; 1,4-diphenylbenzene; methyl(dipropyl)azanium

Systemtic Name: benzenesulfonate; 1,4-diphenylbenzene; methyl(dipropyl)azanium Openeye Name: benzenesulfonate; 1,4-diphenylbenzene; methyl(dipropyl)ammonium CAS Name: benzenesulfonate; 1,4-diphenylbenzene; methyl(dipropyl)ammonium IUPAC Name: benzenesulfonate; 1,4-diphenylbenzene; methyl(dipropyl)azanium Traditional Name: 1,4-diphenylbenzene; methyl(dipropyl)ammonium; dibesylate Formula: C44H60N2O6S2 MolecularWeight: 777.087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14.2C7H17N.2C6H6O3S/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;2*1-4-6-8(3)7-5-2;2*7-10(8,9)6-4-2-1-3-5-6/h1-14H;2*4-7H2,1-3H3;2*1-5H,(H,7,8,9)