benzenesulfonate; 1,4-diphenylbenzene; triethylazanium

Systemtic Name: benzenesulfonate; 1,4-diphenylbenzene; triethylazanium Openeye Name: benzenesulfonate; 1,4-diphenylbenzene; triethylammonium CAS Name: benzenesulfonate; 1,4-diphenylbenzene; triethylammonium IUPAC Name: benzenesulfonate; 1,4-diphenylbenzene; triethylazanium Traditional Name: 1,4-diphenylbenzene; triethylammonium; dibesylate Formula: C42H56N2O6S2 MolecularWeight: 749.03384

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC[NH+](CC)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[NH+](CC)CC.CC[NH+](CC)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/C18H14.2C6H15N.2C6H6O3S/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;2*1-4-7(5-2)6-3;2*7-10(8,9)6-4-2-1-3-5-6/h1-14H;2*4-6H2,1-3H3;2*1-5H,(H,7,8,9)