O3,O7-dimethyl O1-(2-phosphonooxyethyl) 5-acetyloxy-1,1,7-trimethyl-nonane-1,3,7-tricarboxylate

Systemtic Name: O3,O7-dimethyl O1-(2-phosphonooxyethyl) 5-acetyloxy-1,1,7-trimethyl-nonane-1,3,7-tricarboxylate Openeye Name: O3,O7-dimethyl O1-(2-phosphonooxyethyl) 5-acetoxy-1,1,7-trimethyl-nonane-1,3,7-tricarboxylate CAS Name: 5-acetyloxy-1,1,7-trimethylnonane-1,3,7-tricarboxylic acid O3,O7-dimethyl ester O1-(2-phosphonooxyethyl) ester IUPAC Name: 3-O,7-O-dimethyl 1-O-(2-phosphonooxyethyl) 5-acetyloxy-1,1,7-trimethylnonane-1,3,7-tricarboxylate Traditional Name: 5-acetoxy-1,1,7-trimethyl-nonane-1,3,7-tricarboxylic acid O3,O7-dimethyl ester O1-(2-phosphonooxyethyl) ester Formula: C21H37O12P MolecularWeight: 512.485041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37O12P/c1-8-21(5,19(25)30-7)13-16(33-14(2)22)11-15(17(23)29-6)12-20(3,4)18(24)31-9-10-32-34(26,27)28/h15-16H,8-13H2,1-7H3,(H2,26,27,28)