benzenesulfonate; 1,4-diphenylbenzene; 1-methylpyrrolidin-1-ium

Systemtic Name: benzenesulfonate; 1,4-diphenylbenzene; 1-methylpyrrolidin-1-ium Openeye Name: benzenesulfonate; 1,4-diphenylbenzene; 1-methylpyrrolidin-1-ium CAS Name: benzenesulfonate; 1,4-diphenylbenzene; 1-methylpyrrolidin-1-ium IUPAC Name: benzenesulfonate; 1,4-diphenylbenzene; 1-methylpyrrolidin-1-ium Traditional Name: 1,4-diphenylbenzene; 1-methylpyrrolidin-1-ium; dibesylate Formula: C40H48N2O6S2 MolecularWeight: 716.94892

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1.C[NH+]1CCCC1.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

C[NH+]1CCCC1.C[NH+]1CCCC1.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.2C5H11N/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;2*1-6-4-2-3-5-6/h1-14H;2*1-5H,(H,7,8,9);2*2-5H2,1H3