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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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