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

Systemtic Name: 2-butylcyclopenta-1,3-diene; phenol; sulfanylidenetitanium(1+); dichloride Openeye Name: 2-butylcyclopenta-1,3-diene; phenol; thioxotitanium(1+); dichloride CAS Name: 2-butylcyclopenta-1,3-diene; phenol; sulfanylidenetitanium(1+); dichloride IUPAC Name: 2-butylcyclopenta-1,3-diene; phenol; sulfanylidenetitanium(1+); dichloride Traditional Name: 2-butylcyclopenta-1,3-diene; phenol; thioxotitanium(1+); dichloride Formula: C15H19Cl2OSTi-2 MolecularWeight: 366.14876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.C1=CC=C(C=C1)O.S=[Ti+].[Cl-].[Cl-]

Isomeric SMILES

CCCCC1=[C-]CC=C1.C1=CC=C(C=C1)O.S=[Ti+].[Cl-].[Cl-]

InChI

InChI=1S/C9H13.C6H6O.2ClH.S.Ti/c1-2-3-6-9-7-4-5-8-9;7-6-4-2-1-3-5-6;;;;/h4,7H,2-3,5-6H2,1H3;1-5,7H;2*1H;;/q-1;;;;;+1/p-2