butanoic acid; methanolate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(3+)

Systemtic Name: butanoic acid; methanolate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(3+) Openeye Name: butyric acid; methanolate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(3+) CAS Name: butanoic acid; methanolate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(3+) IUPAC Name: butanoic acid; methanolate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(3+) Traditional Name: butyric acid; methanolate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(3+) Formula: C16H29O4Ti MolecularWeight: 333.26606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)O.CC1=[C-]C(C(=C1C)C)(C)C.C[O-].C[O-].[Ti+3]

Isomeric SMILES

CCCC(=O)O.CC1=[C-]C(C(=C1C)C)(C)C.C[O-].C[O-].[Ti+3]

InChI

InChI=1S/C10H15.C4H8O2.2CH3O.Ti/c1-7-6-10(4,5)9(3)8(7)2;1-2-3-4(5)6;2*1-2;/h1-5H3;2-3H2,1H3,(H,5,6);2*1H3;/q-1;;2*-1;+3