ethanolate; octadecanoate; titanium(4+)

Systemtic Name: ethanolate; octadecanoate; titanium(4+) Openeye Name: ethanolate; octadecanoate; titanium(4+) CAS Name: ethanolate; octadecanoate; titanium(4+) IUPAC Name: ethanolate; octadecanoate; titanium(4+) Traditional Name: ethanolate; stearate; titanium(4+) Formula: C80H160O12Ti-4 MolecularWeight: 1361.9862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Ti+4]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Ti+4]

InChI

InChI=1S/4C18H36O2.4C2H5O.Ti/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4*1-2-3;/h4*2-17H2,1H3,(H,19,20);4*2H2,1H3;/q;;;;4*-1;+4/p-4