cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; methylidenetitanium; prop-2-ynoic acid

Systemtic Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; methylidenetitanium; prop-2-ynoic acid Openeye Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; methylenetitanium; prop-2-ynoic acid CAS Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; methylenetitanium; 2-propynoic acid IUPAC Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; methylidenetitanium; prop-2-ynoic acid Traditional Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; methylenetitanium; propiolic acid Formula: C25H20O4Ti-2 MolecularWeight: 432.2909

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Descriptors Computed from Structure

Canonical SMILES:

C=[Ti].C#CC(=O)O.C#CC(=O)O.C1C=CC=[C-]1.C1C2=CC=CC=C2C3=C1[C-]=CC=C3

Isomeric SMILES

C=[Ti].C#CC(=O)O.C#CC(=O)O.C1C=CC=[C-]1.C1C2=CC=CC=C2C3=C1[C-]=CC=C3

InChI

InChI=1S/C13H9.C5H5.2C3H2O2.CH2.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;2*1-2-3(4)5;;/h1-5,7-8H,9H2;1-3H,4H2;2*1H,(H,4,5);1H2;/q2*-1;;;;