8-(5,5-dimethyl-9-phosphonooxy-nonoxy)-4,4-dimethyl-octanoic acid

Systemtic Name: 8-(5,5-dimethyl-9-phosphonooxy-nonoxy)-4,4-dimethyl-octanoic acid Openeye Name: 8-(5,5-dimethyl-9-phosphonooxy-nonoxy)-4,4-dimethyl-octanoic acid CAS Name: 8-(5,5-dimethyl-9-phosphonooxynonoxy)-4,4-dimethyloctanoic acid IUPAC Name: 8-(5,5-dimethyl-9-phosphonooxynonoxy)-4,4-dimethyloctanoic acid Traditional Name: 8-(5,5-dimethyl-9-phosphonooxy-nonoxy)-4,4-dimethyl-caprylic acid Formula: C21H43O7P MolecularWeight: 438.535681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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