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

Systemtic Name: sodium 6-cyclopentyloxy-2-ethyl-4-methyl-6-oxidanyl-3-[6-(2H-1,2,3,4-tetrazol-5-yl)heptyl]cyclohexa-2,4-dien-1-one Openeye Name: sodium 6-(cyclopentoxy)-2-ethyl-6-hydroxy-4-methyl-3-[6-(2H-tetrazol-5-yl)heptyl]cyclohexa-2,4-dien-1-one CAS Name: sodium 6-cyclopentyloxy-2-ethyl-6-hydroxy-4-methyl-3-[6-(2H-tetrazol-5-yl)heptyl]-1-cyclohexa-2,4-dienone IUPAC Name: sodium 6-cyclopentyloxy-2-ethyl-6-hydroxy-4-methyl-3-[6-(2H-tetrazol-5-yl)heptyl]cyclohexa-2,4-dien-1-one Traditional Name: sodium 6-(cyclopentoxy)-2-ethyl-6-hydroxy-4-methyl-3-[6-(2H-tetrazol-5-yl)heptyl]cyclohexa-2,4-dien-1-one Formula: C22H34N4NaO3+ MolecularWeight: 425.52013

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(C1=O)(O)OC2CCCC2)C)CCCCCC(C)C3=NNN=N3.[Na+]

Isomeric SMILES

CCC1=C(C(=CC(C1=O)(O)OC2CCCC2)C)CCCCCC(C)C3=NNN=N3.[Na+]

InChI

InChI=1S/C22H34N4O3.Na/c1-4-18-19(13-7-5-6-10-15(2)21-23-25-26-24-21)16(3)14-22(28,20(18)27)29-17-11-8-9-12-17;/h14-15,17,28H,4-13H2,1-3H3,(H,23,24,25,26);/q;+1