octadecanoate; terephthalate; titanium(2+)

Systemtic Name: octadecanoate; terephthalate; titanium(2+) Openeye Name: octadecanoate; terephthalate; titanium(2+) CAS Name: octadecanoate; terephthalate; titanium(2+) IUPAC Name: octadecanoate; terephthalate; titanium(2+) Traditional Name: stearate; terephthalate; titanium(2+) Formula: C26H39O6Ti- MolecularWeight: 495.45126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Ti+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Ti+2]

InChI

InChI=1S/C18H36O2.C8H6O4.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;9-7(10)5-1-2-6(4-3-5)8(11)12;/h2-17H2,1H3,(H,19,20);1-4H,(H,9,10)(H,11,12);/q;;+2/p-3