O1,O1-diethyl O2-methyl 2-(decanoylamino)-1-oxidanyl-ethane-1,1,2-tricarboxylate

Systemtic Name: O1,O1-diethyl O2-methyl 2-(decanoylamino)-1-oxidanyl-ethane-1,1,2-tricarboxylate Openeye Name: O1,O1-diethyl O2-methyl 2-(decanoylamino)-1-hydroxy-ethane-1,1,2-tricarboxylate CAS Name: 1-hydroxy-2-(1-oxodecylamino)ethane-1,1,2-tricarboxylic acid O1,O1-diethyl ester O2-methyl ester IUPAC Name: 1-O,1-O-diethyl 2-O-methyl 2-(decanoylamino)-1-hydroxyethane-1,1,2-tricarboxylate Traditional Name: 2-(caprylamino)-1-hydroxy-ethane-1,1,2-tricarboxylic acid O1,O1-diethyl ester O2-methyl ester Formula: C20H35NO8 MolecularWeight: 417.4938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(C(=O)OC)C(C(=O)OCC)(C(=O)OCC)O

Isomeric SMILES

CCCCCCCCCC(=O)NC(C(=O)OC)C(C(=O)OCC)(C(=O)OCC)O

InChI

InChI=1S/C20H35NO8/c1-5-8-9-10-11-12-13-14-15(22)21-16(17(23)27-4)20(26,18(24)28-6-2)19(25)29-7-3/h16,26H,5-14H2,1-4H3,(H,21,22)