5-ethyl-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium; 3-methylnonane-1-sulfonate

Systemtic Name: 5-ethyl-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium; 3-methylnonane-1-sulfonate Openeye Name: 5-ethyl-2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 3-methylnonane-1-sulfonate CAS Name: 5-ethyl-2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 3-methyl-1-nonanesulfonate IUPAC Name: 5-ethyl-2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 3-methylnonane-1-sulfonate Traditional Name: 5-ethyl-2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 3-methylnonane-1-sulfonate Formula: C35H59N4O6S2- MolecularWeight: 695.99616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)CCS(=O)(=O)[O-].CCCCCCC(C)CCS(=O)(=O)[O-].CCC1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)CCS(=O)(=O)[O-].CCCCCCC(C)CCS(=O)(=O)[O-].CCC1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C15H16N4.2C10H22O3S/c1-2-15-16-18(13-9-5-3-6-10-13)19(17-15)14-11-7-4-8-12-14;2*1-3-4-5-6-7-10(2)8-9-14(11,12)13/h3-12H,2H2,1H3,(H,16,17);2*10H,3-9H2,1-2H3,(H,11,12,13)/p-1