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

Systemtic Name: sodium 2-butyl-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetrazol-5-yl)heptoxy]phenolate Openeye Name: sodium 2-butyl-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenolate CAS Name: sodium 2-butyl-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenolate IUPAC Name: sodium 2-butyl-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenolate Traditional Name: sodium 2-butyl-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenolate Formula: C21H33N4NaO2 MolecularWeight: 396.50209

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1[O-])OCCCCCC(C)(C)C2=NNN=N2)CC.[Na+]

Isomeric SMILES

CCCCC1=CC(=C(C=C1[O-])OCCCCCC(C)(C)C2=NNN=N2)CC.[Na+]

InChI

InChI=1S/C21H34N4O2.Na/c1-5-7-11-17-14-16(6-2)19(15-18(17)26)27-13-10-8-9-12-21(3,4)20-22-24-25-23-20;/h14-15,26H,5-13H2,1-4H3,(H,22,23,24,25);/q;+1/p-1