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

Systemtic Name: sodium 2-[3,5-bis(chloranyl)phenyl]-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetrazol-5-yl)heptoxy]phenolate Openeye Name: sodium 2-(3,5-dichlorophenyl)-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenolate CAS Name: sodium 2-(3,5-dichlorophenyl)-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenolate IUPAC Name: sodium 2-(3,5-dichlorophenyl)-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenolate Traditional Name: sodium 2-(3,5-dichlorophenyl)-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenolate Formula: C23H27Cl2N4NaO2 MolecularWeight: 485.38185

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28Cl2N4O2.Na/c1-4-15-12-19(16-10-17(24)13-18(25)11-16)20(30)14-21(15)31-9-7-5-6-8-23(2,3)22-26-28-29-27-22;/h10-14,30H,4-9H2,1-3H3,(H,26,27,28,29);/q;+1/p-1