sodium 4-ethyl-5-[6-methyl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)heptoxy]-2-pentoxy-phenol

Systemtic Name: sodium 4-ethyl-5-[6-methyl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)heptoxy]-2-pentoxy-phenol Openeye Name: sodium 4-ethyl-5-[6-methyl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)heptoxy]-2-pentoxy-phenol CAS Name: sodium 4-ethyl-5-[6-methyl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)heptoxy]-2-pentoxyphenol IUPAC Name: sodium 4-ethyl-5-[6-methyl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)heptoxy]-2-pentoxyphenol Traditional Name: sodium 2-amoxy-4-ethyl-5-[6-methyl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)heptoxy]phenol Formula: C22H35N4NaO3 MolecularWeight: 426.52807

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C(=C1)CC)OCCCCCC(C)(C)C2=N[N-]N=N2)O.[Na+]

Isomeric SMILES

CCCCCOC1=C(C=C(C(=C1)CC)OCCCCCC(C)(C)C2=N[N-]N=N2)O.[Na+]

InChI

InChI=1S/C22H35N4O3.Na/c1-5-7-10-13-29-20-15-17(6-2)19(16-18(20)27)28-14-11-8-9-12-22(3,4)21-23-25-26-24-21;/h15-16H,5-14H2,1-4H3,(H-,23,24,25,26,27);/q-1;+1