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

Systemtic Name: butanoic acid; carbanide; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(3+) Openeye Name: butyric acid; carbanide; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(3+) CAS Name: butanoic acid; carbanide; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(3+) IUPAC Name: butanoic acid; carbanide; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(3+) Traditional Name: butyric acid; carbanide; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(3+) Formula: C16H29O2Ti MolecularWeight: 301.26726

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CCCC(=O)O.CC1=[C-]C(C(=C1C)C)(C)C.[Ti+3]

Isomeric SMILES

[CH3-].[CH3-].CCCC(=O)O.CC1=[C-]C(C(=C1C)C)(C)C.[Ti+3]

InChI

InChI=1S/C10H15.C4H8O2.2CH3.Ti/c1-7-6-10(4,5)9(3)8(7)2;1-2-3-4(5)6;;;/h1-5H3;2-3H2,1H3,(H,5,6);2*1H3;/q-1;;2*-1;+3