1H-inden-1-ide; methylidenetitanium; prop-2-ynoic acid

Systemtic Name: 1H-inden-1-ide; methylidenetitanium; prop-2-ynoic acid Openeye Name: 1H-inden-1-ide; methylenetitanium; prop-2-ynoic acid CAS Name: 1H-inden-1-ide; methylenetitanium; 2-propynoic acid IUPAC Name: 1H-inden-1-ide; methylidenetitanium; prop-2-ynoic acid Traditional Name: 1H-inden-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.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21

Isomeric SMILES

C=[Ti].C#CC(=O)O.C#CC(=O)O.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21

InChI

InChI=1S/2C9H7.2C3H2O2.CH2.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-3(4)5;;/h2*1-7H;2*1H,(H,4,5);1H2;/q2*-1;;;;