O1-decyl O6-octyl 2,4,4-trimethylhexanedioate

Systemtic Name: O1-decyl O6-octyl 2,4,4-trimethylhexanedioate Openeye Name: O1-decyl O6-octyl 2,4,4-trimethylhexanedioate CAS Name: 2,4,4-trimethylhexanedioic acid O1-decyl ester O6-octyl ester IUPAC Name: 1-O-decyl 6-O-octyl 2,4,4-trimethylhexanedioate Traditional Name: 2,4,4-trimethyladipic acid O1-decyl ester O6-octyl ester Formula: C27H52O4 MolecularWeight: 440.69938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C(C)CC(C)(C)CC(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC(=O)C(C)CC(C)(C)CC(=O)OCCCCCCCC

InChI

InChI=1S/C27H52O4/c1-6-8-10-12-14-15-17-19-21-31-26(29)24(3)22-27(4,5)23-25(28)30-20-18-16-13-11-9-7-2/h24H,6-23H2,1-5H3