2-ethylhexanoic acid; propan-2-olate; titanium(4+)

Systemtic Name: 2-ethylhexanoic acid; propan-2-olate; titanium(4+) Openeye Name: 2-ethylhexanoic acid; propan-2-olate; titanium(4+) CAS Name: 2-ethylhexanoic acid; 2-propanolate; titanium(4+) IUPAC Name: 2-ethylhexanoic acid; propan-2-olate; titanium(4+) Traditional Name: 2-ethylhexanoic acid; propan-2-olate; titanium(4+) Formula: C20H44O6Ti MolecularWeight: 428.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16O2.4C3H7O.Ti/c1-3-5-6-7(4-2)8(9)10;4*1-3(2)4;/h7H,3-6H2,1-2H3,(H,9,10);4*3H,1-2H3;/q;4*-1;+4