bis(1-adamantyl) 2,2,4-trimethyl-3-oxidanylidene-pentanedioate

Systemtic Name: bis(1-adamantyl) 2,2,4-trimethyl-3-oxidanylidene-pentanedioate Openeye Name: bis(1-adamantyl) 2,2,4-trimethyl-3-oxo-pentanedioate CAS Name: 2,2,4-trimethyl-3-oxopentanedioic acid bis(1-adamantyl) ester IUPAC Name: bis(1-adamantyl) 2,2,4-trimethyl-3-oxopentanedioate Traditional Name: 3-keto-2,2,4-trimethyl-glutaric acid bis(1-adamantyl) ester Formula: C28H40O5 MolecularWeight: 456.6142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C)(C)C(=O)OC12CC3CC(C1)CC(C3)C2)C(=O)OC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C(=O)C(C)(C)C(=O)OC12CC3CC(C1)CC(C3)C2)C(=O)OC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H40O5/c1-16(24(30)32-27-10-17-4-18(11-27)6-19(5-17)12-27)23(29)26(2,3)25(31)33-28-13-20-7-21(14-28)9-22(8-20)15-28/h16-22H,4-15H2,1-3H3