O1-tert-butyl O8-methyl 2-oxidanylideneoctanedioate

Systemtic Name: O1-tert-butyl O8-methyl 2-oxidanylideneoctanedioate Openeye Name: O1-tert-butyl O8-methyl 2-oxooctanedioate CAS Name: 2-oxooctanedioic acid O1-tert-butyl ester O8-methyl ester IUPAC Name: 1-O-tert-butyl 8-O-methyl 2-oxooctanedioate Traditional Name: 2-ketosuberic acid O1-tert-butyl ester O8-methyl ester Formula: C13H22O5 MolecularWeight: 258.31078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=O)CCCCCC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C(=O)CCCCCC(=O)OC

InChI

InChI=1S/C13H22O5/c1-13(2,3)18-12(16)10(14)8-6-5-7-9-11(15)17-4/h5-9H2,1-4H3