7-butanoyl-9-hexyl-8-oxidanyl-pentadecane-6,7,8-tricarboxylate

Systemtic Name: 7-butanoyl-9-hexyl-8-oxidanyl-pentadecane-6,7,8-tricarboxylate Openeye Name: 7-butanoyl-9-hexyl-8-hydroxy-pentadecane-6,7,8-tricarboxylate CAS Name: 7-hexyl-8-hydroxy-9-(1-oxobutyl)pentadecane-6,7,8-tricarboxylate IUPAC Name: 7-butanoyl-9-hexyl-8-hydroxypentadecane-6,7,8-tricarboxylate Traditional Name: 7-butyryl-9-hexyl-8-hydroxy-pentadecane-6,7,8-tricarboxylate Formula: C28H47O8-3 MolecularWeight: 511.66798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H50O8/c1-5-9-12-15-19-26(23(30)31,20-16-13-10-6-2)28(36,25(34)35)27(24(32)33,22(29)18-8-4)21-17-14-11-7-3/h36H,5-21H2,1-4H3,(H,30,31)(H,32,33)(H,34,35)/p-3