trizinc 14-hexadecylnonacosane-1,14,29-tricarboxylate

Systemtic Name: trizinc 14-hexadecylnonacosane-1,14,29-tricarboxylate Openeye Name: trizinc 14-hexadecylnonacosane-1,14,29-tricarboxylate CAS Name: trizinc 14-hexadecylnonacosane-1,14,29-tricarboxylate IUPAC Name: trizinc 14-hexadecylnonacosane-1,14,29-tricarboxylate Traditional Name: trizinc 14-cetylnonacosane-1,14,29-tricarboxylate Formula: C96H178O12Zn3 MolecularWeight: 1720.66032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)[O-])(CCCCCCCCCCCCCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)[O-])(CCCCCCCCCCCCCC(=O)[O-])C(=O)[O-].[Zn+2].[Zn+2].[Zn+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)[O-])(CCCCCCCCCCCCCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)[O-])(CCCCCCCCCCCCCC(=O)[O-])C(=O)[O-].[Zn+2].[Zn+2].[Zn+2]

InChI

InChI=1S/2C48H92O6.3Zn/c2*1-2-3-4-5-6-7-8-9-12-17-22-27-32-37-42-48(47(53)54,44-39-34-29-24-19-14-16-21-26-31-36-41-46(51)52)43-38-33-28-23-18-13-10-11-15-20-25-30-35-40-45(49)50;;;/h2*2-44H2,1H3,(H,49,50)(H,51,52)(H,53,54);;;/q;;3*+2/p-6