6-(5,5-diethyl-8-phosphonooxy-octoxy)-2,2-diethyl-hexanoic acid

Systemtic Name: 6-(5,5-diethyl-8-phosphonooxy-octoxy)-2,2-diethyl-hexanoic acid Openeye Name: 6-(5,5-diethyl-8-phosphonooxy-octoxy)-2,2-diethyl-hexanoic acid CAS Name: 6-(5,5-diethyl-8-phosphonooxyoctoxy)-2,2-diethylhexanoic acid IUPAC Name: 6-(5,5-diethyl-8-phosphonooxyoctoxy)-2,2-diethylhexanoic acid Traditional Name: 6-(5,5-diethyl-8-phosphonooxy-octoxy)-2,2-diethyl-hexanoic acid Formula: C22H45O7P MolecularWeight: 452.562261

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCCOCCCCC(CC)(CC)C(=O)O)CCCOP(=O)(O)O

Isomeric SMILES

CCC(CC)(CCCCOCCCCC(CC)(CC)C(=O)O)CCCOP(=O)(O)O

InChI

InChI=1S/C22H45O7P/c1-5-21(6-2,15-13-19-29-30(25,26)27)14-9-11-17-28-18-12-10-16-22(7-3,8-4)20(23)24/h5-19H2,1-4H3,(H,23,24)(H2,25,26,27)