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

Systemtic Name: 6-ethyl-4-methyl-2-oxidanyl-5-[6-(2H-1,2,3,4-tetrazol-5-yl)heptyl]cyclohexa-2,4-dien-1-one Openeye Name: 6-ethyl-2-hydroxy-4-methyl-5-[6-(2H-tetrazol-5-yl)heptyl]cyclohexa-2,4-dien-1-one CAS Name: 6-ethyl-2-hydroxy-4-methyl-5-[6-(2H-tetrazol-5-yl)heptyl]-1-cyclohexa-2,4-dienone IUPAC Name: 6-ethyl-2-hydroxy-4-methyl-5-[6-(2H-tetrazol-5-yl)heptyl]cyclohexa-2,4-dien-1-one Traditional Name: 6-ethyl-2-hydroxy-4-methyl-5-[6-(2H-tetrazol-5-yl)heptyl]cyclohexa-2,4-dien-1-one Formula: C17H26N4O2 MolecularWeight: 318.41394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(C=C(C1=O)O)C)CCCCCC(C)C2=NNN=N2

Isomeric SMILES

CCC1C(=C(C=C(C1=O)O)C)CCCCCC(C)C2=NNN=N2

InChI

InChI=1S/C17H26N4O2/c1-4-13-14(12(3)10-15(22)16(13)23)9-7-5-6-8-11(2)17-18-20-21-19-17/h10-11,13,22H,4-9H2,1-3H3,(H,18,19,20,21)