9-(5,5-dimethyl-9-phosphonooxy-nonoxy)-5,5-dimethyl-nonanoic acid

Systemtic Name: 9-(5,5-dimethyl-9-phosphonooxy-nonoxy)-5,5-dimethyl-nonanoic acid Openeye Name: 9-(5,5-dimethyl-9-phosphonooxy-nonoxy)-5,5-dimethyl-nonanoic acid CAS Name: 9-(5,5-dimethyl-9-phosphonooxynonoxy)-5,5-dimethylnonanoic acid IUPAC Name: 9-(5,5-dimethyl-9-phosphonooxynonoxy)-5,5-dimethylnonanoic acid Traditional Name: 9-(5,5-dimethyl-9-phosphonooxy-nonoxy)-5,5-dimethyl-pelargonic acid Formula: C22H45O7P MolecularWeight: 452.562261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCOCCCCC(C)(C)CCCC(=O)O)CCCCOP(=O)(O)O

Isomeric SMILES

CC(C)(CCCCOCCCCC(C)(C)CCCC(=O)O)CCCCOP(=O)(O)O

InChI

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