1-adamantylmethyl 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: 1-adamantylmethyl 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate Openeye Name: 1-adamantylmethyl 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate CAS Name: 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate Traditional Name: 2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 1-adamantylmethyl ester Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(OC2=O)C(=O)OCC34CC5CC(C3)CC(C5)C4)C)C

Isomeric SMILES

CC1(C2(CCC1(OC2=O)C(=O)OCC34CC5CC(C3)CC(C5)C4)C)C

InChI

InChI=1S/C21H30O4/c1-18(2)19(3)4-5-21(18,25-16(19)22)17(23)24-12-20-9-13-6-14(10-20)8-15(7-13)11-20/h13-15H,4-12H2,1-3H3