disodium 4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetrazol-5-yl)heptoxy]-2-phenylsulfanyl-phenol

Systemtic Name: disodium 4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetrazol-5-yl)heptoxy]-2-phenylsulfanyl-phenol Openeye Name: disodium 4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]-2-phenylsulfanyl-phenol CAS Name: disodium 4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]-2-(phenylthio)phenol IUPAC Name: disodium 4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]-2-phenylsulfanylphenol Traditional Name: disodium 4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]-2-(phenylthio)phenol Formula: C23H30N4Na2O2S+2 MolecularWeight: 472.55444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1OCCCCCC(C)(C)C2=NNN=N2)O)SC3=CC=CC=C3.[Na+].[Na+]

Isomeric SMILES

CCC1=CC(=C(C=C1OCCCCCC(C)(C)C2=NNN=N2)O)SC3=CC=CC=C3.[Na+].[Na+]

InChI

InChI=1S/C23H30N4O2S.2Na/c1-4-17-15-21(30-18-11-7-5-8-12-18)19(28)16-20(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;2*+1