2-ethylhexane-1-sulfonate; 5-(furan-2-yl)-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium

Systemtic Name: 2-ethylhexane-1-sulfonate; 5-(furan-2-yl)-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium Openeye Name: 2-ethylhexane-1-sulfonate; 5-(2-furyl)-2,3-diphenyl-1,3-dihydrotetrazol-3-ium CAS Name: 2-ethyl-1-hexanesulfonate; 5-(2-furanyl)-2,3-diphenyl-1,3-dihydrotetrazol-3-ium IUPAC Name: 2-ethylhexane-1-sulfonate; 5-(furan-2-yl)-2,3-diphenyl-1,3-dihydrotetrazol-3-ium Traditional Name: 2-ethylhexane-1-sulfonate; 5-(2-furyl)-2,3-diphenyl-1,3-dihydrotetrazol-3-ium Formula: C33H49N4O7S2- MolecularWeight: 677.89476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CS(=O)(=O)[O-].CCCCC(CC)CS(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CCCCC(CC)CS(=O)(=O)[O-].CCCCC(CC)CS(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C17H14N4O.2C8H18O3S/c1-3-8-14(9-4-1)20-18-17(16-12-7-13-22-16)19-21(20)15-10-5-2-6-11-15;2*1-3-5-6-8(4-2)7-12(9,10)11/h1-13H,(H,18,19);2*8H,3-7H2,1-2H3,(H,9,10,11)/p-1