2-butanoyl-3-hexyl-2-octyl-3-oxidanyl-butanedioate

Systemtic Name: 2-butanoyl-3-hexyl-2-octyl-3-oxidanyl-butanedioate Openeye Name: 2-butanoyl-3-hexyl-3-hydroxy-2-octyl-butanedioate CAS Name: 2-hexyl-2-hydroxy-3-octyl-3-(1-oxobutyl)butanedioate IUPAC Name: 2-butanoyl-3-hexyl-3-hydroxy-2-octylbutanedioate Traditional Name: 2-butyryl-3-hexyl-3-hydroxy-2-octyl-succinate Formula: C22H38O6-2 MolecularWeight: 398.53352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)CCC)(C(=O)[O-])C(CCCCCC)(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCC(C(=O)CCC)(C(=O)[O-])C(CCCCCC)(C(=O)[O-])O

InChI

InChI=1S/C22H40O6/c1-4-7-9-11-12-13-16-21(19(24)25,18(23)15-6-3)22(28,20(26)27)17-14-10-8-5-2/h28H,4-17H2,1-3H3,(H,24,25)(H,26,27)/p-2