2-butanoyl-3-hexyl-2-octyl-3-oxidanyl-butanedioic acid

Systemtic Name: 2-butanoyl-3-hexyl-2-octyl-3-oxidanyl-butanedioic acid Openeye Name: 2-butanoyl-3-hexyl-3-hydroxy-2-octyl-butanedioic acid CAS Name: 2-hexyl-2-hydroxy-3-octyl-3-(1-oxobutyl)butanedioic acid IUPAC Name: 2-butanoyl-3-hexyl-3-hydroxy-2-octylbutanedioic acid Traditional Name: 2-butyryl-3-hexyl-3-hydroxy-2-octyl-succinic acid Formula: C22H40O6 MolecularWeight: 400.5494

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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)