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

Systemtic Name: prop-2-ynoic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene Openeye Name: prop-2-ynoic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene CAS Name: 2-propynoic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene IUPAC Name: prop-2-ynoic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene Traditional Name: propiolic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene Formula: C17H17O6Ti- MolecularWeight: 365.18028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[C-]C1)C)C.C#CC(=O)O.C#CC(=O)O.C#CC(=O)O.[Ti]

Isomeric SMILES

CC1=C(C(=[C-]C1)C)C.C#CC(=O)O.C#CC(=O)O.C#CC(=O)O.[Ti]

InChI

InChI=1S/C8H11.3C3H2O2.Ti/c1-6-4-5-7(2)8(6)3;3*1-2-3(4)5;/h4H2,1-3H3;3*1H,(H,4,5);/q-1;;;;