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

Systemtic Name: sodium 4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetrazol-5-yl)heptoxy]-2-phenyl-phenolate Openeye Name: sodium 4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]-2-phenyl-phenolate CAS Name: sodium 4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]-2-phenylphenolate IUPAC Name: sodium 4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]-2-phenylphenolate Traditional Name: sodium 4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]-2-phenyl-phenolate Formula: C23H29N4NaO2 MolecularWeight: 416.49173

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC=CC=C2)[O-])OCCCCCC(C)(C)C3=NNN=N3.[Na+]

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC=CC=C2)[O-])OCCCCCC(C)(C)C3=NNN=N3.[Na+]

InChI

InChI=1S/C23H30N4O2.Na/c1-4-17-15-19(18-11-7-5-8-12-18)20(28)16-21(17)29-14-10-6-9-13-23(2,3)22-24-26-27-25-22;/h5,7-8,11-12,15-16,28H,4,6,9-10,13-14H2,1-3H3,(H,24,25,26,27);/q;+1/p-1