7-[3-(3-methyl-3-oxidanyl-octyl)-6,9-dioxaspiro[4.4]nonan-4-yl]heptanoic acid

Systemtic Name: 7-[3-(3-methyl-3-oxidanyl-octyl)-6,9-dioxaspiro[4.4]nonan-4-yl]heptanoic acid Openeye Name: 7-[3-(3-hydroxy-3-methyl-octyl)-6,9-dioxaspiro[4.4]nonan-4-yl]heptanoic acid CAS Name: 7-[3-(3-hydroxy-3-methyloctyl)-6,9-dioxaspiro[4.4]nonan-4-yl]heptanoic acid IUPAC Name: 7-[3-(3-hydroxy-3-methyloctyl)-6,9-dioxaspiro[4.4]nonan-4-yl]heptanoic acid Traditional Name: 7-[3-(3-hydroxy-3-methyl-octyl)-6,9-dioxaspiro[4.4]nonan-4-yl]enanthic acid Formula: C23H42O5 MolecularWeight: 398.57658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CCC1CCC2(C1CCCCCCC(=O)O)OCCO2)O

Isomeric SMILES

CCCCCC(C)(CCC1CCC2(C1CCCCCCC(=O)O)OCCO2)O

InChI

InChI=1S/C23H42O5/c1-3-4-9-14-22(2,26)15-12-19-13-16-23(27-17-18-28-23)20(19)10-7-5-6-8-11-21(24)25/h19-20,26H,3-18H2,1-2H3,(H,24,25)