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

Systemtic Name: methanolate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; prop-2-ynoic acid; titanium(2+) Openeye Name: methanolate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; prop-2-ynoic acid; titanium(2+) CAS Name: methanolate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; 2-propynoic acid; titanium(2+) IUPAC Name: methanolate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; prop-2-ynoic acid; titanium(2+) Traditional Name: methanolate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; propiolic acid; titanium(2+) Formula: C17H22O5Ti MolecularWeight: 354.22058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(C(=C1C)C)(C)C.C[O-].C#CC(=O)O.C#CC(=O)O.[Ti+2]

Isomeric SMILES

CC1=[C-]C(C(=C1C)C)(C)C.C[O-].C#CC(=O)O.C#CC(=O)O.[Ti+2]

InChI

InChI=1S/C10H15.2C3H2O2.CH3O.Ti/c1-7-6-10(4,5)9(3)8(7)2;2*1-2-3(4)5;1-2;/h1-5H3;2*1H,(H,4,5);1H3;/q-1;;;-1;+2