O1,O1'-ditert-butyl O5-methyl 3-methylidene-6-oxidanylidene-cyclooctane-1,1,5-tricarboxylate

Systemtic Name: O1,O1'-ditert-butyl O5-methyl 3-methylidene-6-oxidanylidene-cyclooctane-1,1,5-tricarboxylate Openeye Name: O1,O1'-ditert-butyl O5-methyl 3-methylene-6-oxo-cyclooctane-1,1,5-tricarboxylate CAS Name: 3-methylene-6-oxocyclooctane-1,1,5-tricarboxylic acid O1,O1'-ditert-butyl ester O5-methyl ester IUPAC Name: 1-O,1-O'-ditert-butyl 5-O-methyl 3-methylidene-6-oxocyclooctane-1,1,5-tricarboxylate Traditional Name: 6-keto-3-methylene-cyclooctane-1,1,5-tricarboxylic acid O1,O1'-ditert-butyl ester O5-methyl ester Formula: C21H32O7 MolecularWeight: 396.47458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCC(=O)C(CC(=C)C1)C(=O)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCC(=O)C(CC(=C)C1)C(=O)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H32O7/c1-13-11-14(16(23)26-8)15(22)9-10-21(12-13,17(24)27-19(2,3)4)18(25)28-20(5,6)7/h14H,1,9-12H2,2-8H3