phenol; propan-2-ylidenetitanium(1+); 2-propylcyclopenta-1,3-diene; dichloride

Systemtic Name: phenol; propan-2-ylidenetitanium(1+); 2-propylcyclopenta-1,3-diene; dichloride Openeye Name: isopropylidenetitanium(1+); phenol; 2-propylcyclopenta-1,3-diene; dichloride CAS Name: phenol; propan-2-ylidenetitanium(1+); 2-propylcyclopenta-1,3-diene; dichloride IUPAC Name: phenol; propan-2-ylidenetitanium(1+); 2-propylcyclopenta-1,3-diene; dichloride Traditional Name: isopropylidenetitanium(1+); phenol; 2-propylcyclopenta-1,3-diene; dichloride Formula: C17H23Cl2OTi-2 MolecularWeight: 362.13692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[C-]CC=C1.CC(=[Ti+])C.C1=CC=C(C=C1)O.[Cl-].[Cl-]

Isomeric SMILES

CCCC1=[C-]CC=C1.CC(=[Ti+])C.C1=CC=C(C=C1)O.[Cl-].[Cl-]

InChI

InChI=1S/C8H11.C6H6O.C3H6.2ClH.Ti/c1-2-5-8-6-3-4-7-8;7-6-4-2-1-3-5-6;1-3-2;;;/h3,6H,2,4-5H2,1H3;1-5,7H;1-2H3;2*1H;/q-1;;;;;+1/p-2