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

Systemtic Name: 2-methylcyclopenta-1,3-diene; phenol; sulfanylidenetitanium(1+); dichloride Openeye Name: 2-methylcyclopenta-1,3-diene; phenol; thioxotitanium(1+); dichloride CAS Name: 2-methylcyclopenta-1,3-diene; phenol; sulfanylidenetitanium(1+); dichloride IUPAC Name: 2-methylcyclopenta-1,3-diene; phenol; sulfanylidenetitanium(1+); dichloride Traditional Name: 2-methylcyclopenta-1,3-diene; phenol; thioxotitanium(1+); dichloride Formula: C12H13Cl2OSTi-2 MolecularWeight: 324.06902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.C1=CC=C(C=C1)O.S=[Ti+].[Cl-].[Cl-]

Isomeric SMILES

CC1=[C-]CC=C1.C1=CC=C(C=C1)O.S=[Ti+].[Cl-].[Cl-]

InChI

InChI=1S/C6H6O.C6H7.2ClH.S.Ti/c7-6-4-2-1-3-5-6;1-6-4-2-3-5-6;;;;/h1-5,7H;2,4H,3H2,1H3;2*1H;;/q;-1;;;;+1/p-2