prop-2-ynoic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium

Systemtic Name: prop-2-ynoic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium Openeye Name: prop-2-ynoic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium CAS Name: 2-propynoic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium IUPAC Name: prop-2-ynoic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium Traditional Name: propiolic acid; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium Formula: C18H19O6Ti- MolecularWeight: 379.20686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13.3C3H2O2.Ti/c1-6-5-7(2)9(4)8(6)3;3*1-2-3(4)5;/h6H,1-4H3;3*1H,(H,4,5);/q-1;;;;