butanoic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium

Systemtic Name: butanoic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium Openeye Name: butyric acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium CAS Name: butanoic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium IUPAC Name: butanoic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium Traditional Name: butyric acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium Formula: C14H23O2Ti- MolecularWeight: 271.19822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15.C4H8O2.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);/q-1;;