O1-tert-butyl O3-(2-methyl-2-adamantyl) adamantane-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-(2-methyl-2-adamantyl) adamantane-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-(2-methyl-2-adamantyl) adamantane-1,3-dicarboxylate CAS Name: adamantane-1,3-dicarboxylic acid O1-tert-butyl ester O3-(2-methyl-2-adamantyl) ester IUPAC Name: 1-O-tert-butyl 3-O-(2-methyl-2-adamantyl) adamantane-1,3-dicarboxylate Traditional Name: adamantane-1,3-dicarboxylic acid O1-tert-butyl ester O3-(2-methyl-2-adamantyl) ester Formula: C27H40O4 MolecularWeight: 428.6041

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC3CC(C2)CC1C3)OC(=O)C45CC6CC(C4)CC(C6)(C5)C(=O)OC(C)(C)C

Isomeric SMILES

CC1(C2CC3CC(C2)CC1C3)OC(=O)C45CC6CC(C4)CC(C6)(C5)C(=O)OC(C)(C)C

InChI

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