2-acetyloxy-7-[(3S,4R)-3-octyl-6,9-dioxaspiro[4.4]nonan-4-yl]heptanoic acid

Systemtic Name: 2-acetyloxy-7-[(3S,4R)-3-octyl-6,9-dioxaspiro[4.4]nonan-4-yl]heptanoic acid Openeye Name: 2-acetoxy-7-[(3S,4R)-3-octyl-6,9-dioxaspiro[4.4]nonan-4-yl]heptanoic acid CAS Name: 2-acetyloxy-7-[(3S,4R)-3-octyl-6,9-dioxaspiro[4.4]nonan-4-yl]heptanoic acid IUPAC Name: 2-acetyloxy-7-[(3S,4R)-3-octyl-6,9-dioxaspiro[4.4]nonan-4-yl]heptanoic acid Traditional Name: 2-acetoxy-7-[(3S,4R)-3-octyl-6,9-dioxaspiro[4.4]nonan-4-yl]enanthic acid Formula: C24H42O6 MolecularWeight: 426.58668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC2(C1CCCCCC(C(=O)O)OC(=O)C)OCCO2

Isomeric SMILES

CCCCCCCC[C@H]1CCC2([C@@H]1CCCCCC(C(=O)O)OC(=O)C)OCCO2

InChI

InChI=1S/C24H42O6/c1-3-4-5-6-7-9-12-20-15-16-24(28-17-18-29-24)21(20)13-10-8-11-14-22(23(26)27)30-19(2)25/h20-22H,3-18H2,1-2H3,(H,26,27)/t20-,21+,22?/m0/s1