sodium 2-ethyl-6-methoxy-4-methyl-6-oxidanyl-3-[6-(2H-1,2,3,4-tetrazol-5-yl)heptyl]cyclohexa-2,4-dien-1-one

Systemtic Name: sodium 2-ethyl-6-methoxy-4-methyl-6-oxidanyl-3-[6-(2H-1,2,3,4-tetrazol-5-yl)heptyl]cyclohexa-2,4-dien-1-one Openeye Name: sodium 2-ethyl-6-hydroxy-6-methoxy-4-methyl-3-[6-(2H-tetrazol-5-yl)heptyl]cyclohexa-2,4-dien-1-one CAS Name: sodium 2-ethyl-6-hydroxy-6-methoxy-4-methyl-3-[6-(2H-tetrazol-5-yl)heptyl]-1-cyclohexa-2,4-dienone IUPAC Name: sodium 2-ethyl-6-hydroxy-6-methoxy-4-methyl-3-[6-(2H-tetrazol-5-yl)heptyl]cyclohexa-2,4-dien-1-one Traditional Name: sodium 2-ethyl-6-hydroxy-6-methoxy-4-methyl-3-[6-(2H-tetrazol-5-yl)heptyl]cyclohexa-2,4-dien-1-one Formula: C18H28N4NaO3+ MolecularWeight: 371.42969

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(C1=O)(O)OC)C)CCCCCC(C)C2=NNN=N2.[Na+]

Isomeric SMILES

CCC1=C(C(=CC(C1=O)(O)OC)C)CCCCCC(C)C2=NNN=N2.[Na+]

InChI

InChI=1S/C18H28N4O3.Na/c1-5-14-15(13(3)11-18(24,25-4)16(14)23)10-8-6-7-9-12(2)17-19-21-22-20-17;/h11-12,24H,5-10H2,1-4H3,(H,19,20,21,22);/q;+1