O1-methyl O8-propan-2-yl 3-oxidanylideneoctanedioate

Systemtic Name: O1-methyl O8-propan-2-yl 3-oxidanylideneoctanedioate Openeye Name: O8-isopropyl O1-methyl 3-oxooctanedioate CAS Name: 3-oxooctanedioic acid O1-methyl ester O8-propan-2-yl ester IUPAC Name: 1-O-methyl 8-O-propan-2-yl 3-oxooctanedioate Traditional Name: 3-ketosuberic acid O8-isopropyl ester O1-methyl ester Formula: C12H20O5 MolecularWeight: 244.2842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCCCC(=O)CC(=O)OC

Isomeric SMILES

CC(C)OC(=O)CCCCC(=O)CC(=O)OC

InChI

InChI=1S/C12H20O5/c1-9(2)17-11(14)7-5-4-6-10(13)8-12(15)16-3/h9H,4-8H2,1-3H3