cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenetitanium(2+)

Systemtic Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenetitanium(2+) Openeye Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; isopropylidenetitanium(2+) CAS Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenetitanium(2+) IUPAC Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenetitanium(2+) Traditional Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; isopropylidenetitanium(2+) Formula: C21H20Ti MolecularWeight: 320.2505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=[Ti+2])C.C1C=CC=[C-]1.C1C2=CC=CC=C2C3=C1[C-]=CC=C3

Isomeric SMILES

CC(=[Ti+2])C.C1C=CC=[C-]1.C1C2=CC=CC=C2C3=C1[C-]=CC=C3

InChI

InChI=1S/C13H9.C5H5.C3H6.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-2;/h1-5,7-8H,9H2;1-3H,4H2;1-2H3;/q2*-1;;+2