benzenesulfonate; diethylazanium; 1,4-diphenylbenzene

Systemtic Name: benzenesulfonate; diethylazanium; 1,4-diphenylbenzene Openeye Name: benzenesulfonate; diethylammonium; 1,4-diphenylbenzene CAS Name: benzenesulfonate; diethylammonium; 1,4-diphenylbenzene IUPAC Name: benzenesulfonate; diethylazanium; 1,4-diphenylbenzene Traditional Name: diethylammonium; 1,4-diphenylbenzene; dibesylate Formula: C34H36NO6S2- MolecularWeight: 618.78274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC.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

CC[NH2+]CC.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/C18H14.2C6H6O3S.C4H11N/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;2*7-10(8,9)6-4-2-1-3-5-6;1-3-5-4-2/h1-14H;2*1-5H,(H,7,8,9);5H,3-4H2,1-2H3/p-1