but-3-en-1-olate; 2-tert-butylcyclopenta-1,3-diene; titanium(4+)

Systemtic Name: but-3-en-1-olate; 2-tert-butylcyclopenta-1,3-diene; titanium(4+) Openeye Name: but-3-en-1-olate; 2-tert-butylcyclopenta-1,3-diene; titanium(4+) CAS Name: 3-buten-1-olate; 2-tert-butylcyclopenta-1,3-diene; titanium(4+) IUPAC Name: but-3-en-1-olate; 2-tert-butylcyclopenta-1,3-diene; titanium(4+) Traditional Name: but-3-en-1-olate; 2-tert-butylcyclopenta-1,3-diene; titanium(4+) Formula: C21H34O3Ti MolecularWeight: 382.35986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[C-]CC=C1.C=CCC[O-].C=CCC[O-].C=CCC[O-].[Ti+4]

Isomeric SMILES

CC(C)(C)C1=[C-]CC=C1.C=CCC[O-].C=CCC[O-].C=CCC[O-].[Ti+4]

InChI

InChI=1S/C9H13.3C4H7O.Ti/c1-9(2,3)8-6-4-5-7-8;3*1-2-3-4-5;/h4,6H,5H2,1-3H3;3*2H,1,3-4H2;/q4*-1;+4