3,3-diethyl-7-[5-ethyl-5-(phosphonooxymethyl)heptoxy]heptanoic acid

Systemtic Name: 3,3-diethyl-7-[5-ethyl-5-(phosphonooxymethyl)heptoxy]heptanoic acid Openeye Name: 3,3-diethyl-7-[5-ethyl-5-(phosphonooxymethyl)heptoxy]heptanoic acid CAS Name: 3,3-diethyl-7-[5-ethyl-5-(phosphonooxymethyl)heptoxy]heptanoic acid IUPAC Name: 3,3-diethyl-7-[5-ethyl-5-(phosphonooxymethyl)heptoxy]heptanoic acid Traditional Name: 3,3-diethyl-7-[5-ethyl-5-(phosphonooxymethyl)heptoxy]enanthic acid Formula: C21H43O7P MolecularWeight: 438.535681

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCCOCCCCC(CC)(CC)COP(=O)(O)O)CC(=O)O

Isomeric SMILES

CCC(CC)(CCCCOCCCCC(CC)(CC)COP(=O)(O)O)CC(=O)O

InChI

InChI=1S/C21H43O7P/c1-5-20(6-2,17-19(22)23)13-9-11-15-27-16-12-10-14-21(7-3,8-4)18-28-29(24,25)26/h5-18H2,1-4H3,(H,22,23)(H2,24,25,26)