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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1O)OCCCCCC(C)(C)C2=N[N-]N=N2)CC.[Na+]

Isomeric SMILES

CCCCC1=CC(=C(C=C1O)OCCCCCC(C)(C)C2=N[N-]N=N2)CC.[Na+]

InChI

InChI=1S/C21H33N4O2.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;/h14-15H,5-13H2,1-4H3,(H-,22,23,24,25,26);/q-1;+1