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

Systemtic Name: sodium 2-ethyl-4-methyl-6-oxidanyl-6-propan-2-yloxy-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-isopropoxy-4-methyl-3-[6-(2H-tetrazol-5-yl)heptyl]cyclohexa-2,4-dien-1-one CAS Name: sodium 2-ethyl-6-hydroxy-4-methyl-6-propan-2-yloxy-3-[6-(2H-tetrazol-5-yl)heptyl]-1-cyclohexa-2,4-dienone IUPAC Name: sodium 2-ethyl-6-hydroxy-4-methyl-6-propan-2-yloxy-3-[6-(2H-tetrazol-5-yl)heptyl]cyclohexa-2,4-dien-1-one Traditional Name: sodium 2-ethyl-6-hydroxy-6-isopropoxy-4-methyl-3-[6-(2H-tetrazol-5-yl)heptyl]cyclohexa-2,4-dien-1-one Formula: C20H32N4NaO3+ MolecularWeight: 399.48285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O3.Na/c1-6-16-17(15(5)12-20(26,18(16)25)27-13(2)3)11-9-7-8-10-14(4)19-21-23-24-22-19;/h12-14,26H,6-11H2,1-5H3,(H,21,22,23,24);/q;+1