2,3-dimethylcyclopenta-1,3-diene; prop-2-ynoic acid; titanium

Systemtic Name: 2,3-dimethylcyclopenta-1,3-diene; prop-2-ynoic acid; titanium Openeye Name: 2,3-dimethylcyclopenta-1,3-diene; prop-2-ynoic acid; titanium CAS Name: 2,3-dimethylcyclopenta-1,3-diene; 2-propynoic acid; titanium IUPAC Name: 2,3-dimethylcyclopenta-1,3-diene; prop-2-ynoic acid; titanium Traditional Name: 2,3-dimethylcyclopenta-1,3-diene; propiolic acid; titanium Formula: C16H15O6Ti- MolecularWeight: 351.1537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9.3C3H2O2.Ti/c1-6-4-3-5-7(6)2;3*1-2-3(4)5;/h4H,3H2,1-2H3;3*1H,(H,4,5);/q-1;;;;