3-[octyl(tetradecanoyl)amino]propanoate; titanium(4+)

Systemtic Name: 3-[octyl(tetradecanoyl)amino]propanoate; titanium(4+) Openeye Name: 3-[octyl(tetradecanoyl)amino]propanoate; titanium(4+) CAS Name: 3-[octyl(1-oxotetradecyl)amino]propanoate; titanium(4+) IUPAC Name: 3-[octyl(tetradecanoyl)amino]propanoate; titanium(4+) Traditional Name: 3-[octyl(tetradecanoyl)amino]propionate; titanium(4+) Formula: C100H192N4O12Ti MolecularWeight: 1690.48108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N(CCCCCCCC)CCC(=O)[O-].CCCCCCCCCCCCCC(=O)N(CCCCCCCC)CCC(=O)[O-].CCCCCCCCCCCCCC(=O)N(CCCCCCCC)CCC(=O)[O-].CCCCCCCCCCCCCC(=O)N(CCCCCCCC)CCC(=O)[O-].[Ti+4]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N(CCCCCCCC)CCC(=O)[O-].CCCCCCCCCCCCCC(=O)N(CCCCCCCC)CCC(=O)[O-].CCCCCCCCCCCCCC(=O)N(CCCCCCCC)CCC(=O)[O-].CCCCCCCCCCCCCC(=O)N(CCCCCCCC)CCC(=O)[O-].[Ti+4]

InChI

InChI=1S/4C25H49NO3.Ti/c4*1-3-5-7-9-11-12-13-14-15-16-18-20-24(27)26(23-21-25(28)29)22-19-17-10-8-6-4-2;/h4*3-23H2,1-2H3,(H,28,29);/q;;;;+4/p-4