O8-butyl O1-methyl 3-oxidanylideneoctanedioate

Systemtic Name: O8-butyl O1-methyl 3-oxidanylideneoctanedioate Openeye Name: O8-butyl O1-methyl 3-oxooctanedioate CAS Name: 3-oxooctanedioic acid O8-butyl ester O1-methyl ester IUPAC Name: 8-O-butyl 1-O-methyl 3-oxooctanedioate Traditional Name: 3-ketosuberic acid O8-butyl ester O1-methyl ester Formula: C13H22O5 MolecularWeight: 258.31078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCCCC(=O)CC(=O)OC

Isomeric SMILES

CCCCOC(=O)CCCCC(=O)CC(=O)OC

InChI

InChI=1S/C13H22O5/c1-3-4-9-18-12(15)8-6-5-7-11(14)10-13(16)17-2/h3-10H2,1-2H3