bis(1-adamantyl) 2,2,3-trimethylbutanedioate

Systemtic Name: bis(1-adamantyl) 2,2,3-trimethylbutanedioate Openeye Name: bis(1-adamantyl) 2,2,3-trimethylbutanedioate CAS Name: 2,2,3-trimethylbutanedioic acid bis(1-adamantyl) ester IUPAC Name: bis(1-adamantyl) 2,2,3-trimethylbutanedioate Traditional Name: 2,2,3-trimethylsuccinic acid bis(1-adamantyl) ester Formula: C27H40O4 MolecularWeight: 428.6041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40O4/c1-16(23(28)30-26-10-17-4-18(11-26)6-19(5-17)12-26)25(2,3)24(29)31-27-13-20-7-21(14-27)9-22(8-20)15-27/h16-22H,4-15H2,1-3H3