O4,O8-dimethyl O1-(2-phosphonooxyethyl) 6-acetyloxy-1,1,8-trimethyl-decane-1,4,8-tricarboxylate

Systemtic Name: O4,O8-dimethyl O1-(2-phosphonooxyethyl) 6-acetyloxy-1,1,8-trimethyl-decane-1,4,8-tricarboxylate Openeye Name: O4,O8-dimethyl O1-(2-phosphonooxyethyl) 6-acetoxy-1,1,8-trimethyl-decane-1,4,8-tricarboxylate CAS Name: 6-acetyloxy-1,1,8-trimethyldecane-1,4,8-tricarboxylic acid O4,O8-dimethyl ester O1-(2-phosphonooxyethyl) ester IUPAC Name: 4-O,8-O-dimethyl 1-O-(2-phosphonooxyethyl) 6-acetyloxy-1,1,8-trimethyldecane-1,4,8-tricarboxylate Traditional Name: 6-acetoxy-1,1,8-trimethyl-decane-1,4,8-tricarboxylic acid O4,O8-dimethyl ester O1-(2-phosphonooxyethyl) ester Formula: C22H39O12P MolecularWeight: 526.511621

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(CC(CCC(C)(C)C(=O)OCCOP(=O)(O)O)C(=O)OC)OC(=O)C)C(=O)OC

Isomeric SMILES

CCC(C)(CC(CC(CCC(C)(C)C(=O)OCCOP(=O)(O)O)C(=O)OC)OC(=O)C)C(=O)OC

InChI

InChI=1S/C22H39O12P/c1-8-22(5,20(26)31-7)14-17(34-15(2)23)13-16(18(24)30-6)9-10-21(3,4)19(25)32-11-12-33-35(27,28)29/h16-17H,8-14H2,1-7H3,(H2,27,28,29)