2-ethylcyclopenta-1,3-diene; phenol; sulfanylidenetitanium(1+); dichloride

Systemtic Name: 2-ethylcyclopenta-1,3-diene; phenol; sulfanylidenetitanium(1+); dichloride Openeye Name: 2-ethylcyclopenta-1,3-diene; phenol; thioxotitanium(1+); dichloride CAS Name: 2-ethylcyclopenta-1,3-diene; phenol; sulfanylidenetitanium(1+); dichloride IUPAC Name: 2-ethylcyclopenta-1,3-diene; phenol; sulfanylidenetitanium(1+); dichloride Traditional Name: 2-ethylcyclopenta-1,3-diene; phenol; thioxotitanium(1+); dichloride Formula: C13H15Cl2OSTi-2 MolecularWeight: 338.0956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=[C-]CC=C1.C1=CC=C(C=C1)O.S=[Ti+].[Cl-].[Cl-]

Isomeric SMILES

CCC1=[C-]CC=C1.C1=CC=C(C=C1)O.S=[Ti+].[Cl-].[Cl-]

InChI

InChI=1S/C7H9.C6H6O.2ClH.S.Ti/c1-2-7-5-3-4-6-7;7-6-4-2-1-3-5-6;;;;/h3,5H,2,4H2,1H3;1-5,7H;2*1H;;/q-1;;;;;+1/p-2