5-octoxy-3-octoxycarbonyl-3-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-octoxy-3-octoxycarbonyl-3-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 3-hydroxy-5-octoxy-3-octoxycarbonyl-5-oxo-pentanoic acid CAS Name: 3-hydroxy-5-octoxy-3-[octoxy(oxo)methyl]-5-oxopentanoic acid IUPAC Name: 3-hydroxy-5-octoxy-3-octoxycarbonyl-5-oxopentanoic acid Traditional Name: 3-hydroxy-5-keto-5-octoxy-3-octoxycarbonyl-valeric acid Formula: C22H40O7 MolecularWeight: 416.5488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)OCCCCCCCC)O

Isomeric SMILES

CCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)OCCCCCCCC)O

InChI

InChI=1S/C22H40O7/c1-3-5-7-9-11-13-15-28-20(25)18-22(27,17-19(23)24)21(26)29-16-14-12-10-8-6-4-2/h27H,3-18H2,1-2H3,(H,23,24)