trihexyl 2-oxidanyl-4-oxidanylidene-heptane-1,2,3-tricarboxylate

Systemtic Name: trihexyl 2-oxidanyl-4-oxidanylidene-heptane-1,2,3-tricarboxylate Openeye Name: trihexyl 2-hydroxy-4-oxo-heptane-1,2,3-tricarboxylate CAS Name: 2-hydroxy-4-oxoheptane-1,2,3-tricarboxylic acid trihexyl ester IUPAC Name: trihexyl 2-hydroxy-4-oxoheptane-1,2,3-tricarboxylate Traditional Name: 2-hydroxy-4-keto-heptane-1,2,3-tricarboxylic acid trihexyl ester Formula: C28H50O8 MolecularWeight: 514.6918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC(C(C(=O)CCC)C(=O)OCCCCCC)(C(=O)OCCCCCC)O

Isomeric SMILES

CCCCCCOC(=O)CC(C(C(=O)CCC)C(=O)OCCCCCC)(C(=O)OCCCCCC)O

InChI

InChI=1S/C28H50O8/c1-5-9-12-15-19-34-24(30)22-28(33,27(32)36-21-17-14-11-7-3)25(23(29)18-8-4)26(31)35-20-16-13-10-6-2/h25,33H,5-22H2,1-4H3