sodium 4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetrazol-5-yl)heptoxy]-2-propyl-phenolate

Systemtic Name: sodium 4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetrazol-5-yl)heptoxy]-2-propyl-phenolate Openeye Name: sodium 4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]-2-propyl-phenolate CAS Name: sodium 4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]-2-propylphenolate IUPAC Name: sodium 4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]-2-propylphenolate Traditional Name: sodium 4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]-2-propyl-phenolate Formula: C20H31N4NaO2 MolecularWeight: 382.47551

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1[O-])OCCCCCC(C)(C)C2=NNN=N2)CC.[Na+]

Isomeric SMILES

CCCC1=CC(=C(C=C1[O-])OCCCCCC(C)(C)C2=NNN=N2)CC.[Na+]

InChI

InChI=1S/C20H32N4O2.Na/c1-5-10-16-13-15(6-2)18(14-17(16)25)26-12-9-7-8-11-20(3,4)19-21-23-24-22-19;/h13-14,25H,5-12H2,1-4H3,(H,21,22,23,24);/q;+1/p-1