1H-inden-1-ide; prop-2-ynoic acid; titanium(2+)

Systemtic Name: 1H-inden-1-ide; prop-2-ynoic acid; titanium(2+) Openeye Name: 1H-inden-1-ide; prop-2-ynoic acid; titanium(2+) CAS Name: 1H-inden-1-ide; 2-propynoic acid; titanium(2+) IUPAC Name: 1H-inden-1-ide; prop-2-ynoic acid; titanium(2+) Traditional Name: 1H-inden-1-ide; propiolic acid; titanium(2+) Formula: C24H18O4Ti MolecularWeight: 418.26432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC(=O)O.C#CC(=O)O.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Ti+2]

Isomeric SMILES

C#CC(=O)O.C#CC(=O)O.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Ti+2]

InChI

InChI=1S/2C9H7.2C3H2O2.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);/q2*-1;;;+2