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

Systemtic Name: ethanoic acid; 1H-inden-1-ide; titanium(2+) Openeye Name: acetic acid; 1H-inden-1-ide; titanium(2+) CAS Name: acetic acid; 1H-inden-1-ide; titanium(2+) IUPAC Name: acetic acid; 1H-inden-1-ide; titanium(2+) Traditional Name: acetic acid; 1H-inden-1-ide; titanium(2+) Formula: C22H22O4Ti MolecularWeight: 398.27468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H7.2C2H4O2.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2(3)4;/h2*1-7H;2*1H3,(H,3,4);/q2*-1;;;+2