O8-methyl O1-(2-methylpropyl) (3S)-3-oxidanyloctanedioate

Systemtic Name: O8-methyl O1-(2-methylpropyl) (3S)-3-oxidanyloctanedioate Openeye Name: O1-isobutyl O8-methyl (3S)-3-hydroxyoctanedioate CAS Name: (3S)-3-hydroxyoctanedioic acid O8-methyl ester O1-(2-methylpropyl) ester IUPAC Name: 8-O-methyl 1-O-(2-methylpropyl) (3S)-3-hydroxyoctanedioate Traditional Name: (3S)-3-hydroxysuberic acid O1-isobutyl ester O8-methyl ester Formula: C13H24O5 MolecularWeight: 260.32666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)COC(=O)C[C@H](CCCCC(=O)OC)O

InChI

InChI=1S/C13H24O5/c1-10(2)9-18-13(16)8-11(14)6-4-5-7-12(15)17-3/h10-11,14H,4-9H2,1-3H3/t11-/m0/s1