phenol; propan-2-ylidenetitanium(1+); 2-propylcyclopenta-1,3-diene; 1,2,3,5-tetramethylcyclopenta-1,3-diene; tetrachloride

Systemtic Name: phenol; propan-2-ylidenetitanium(1+); 2-propylcyclopenta-1,3-diene; 1,2,3,5-tetramethylcyclopenta-1,3-diene; tetrachloride Openeye Name: isopropylidenetitanium(1+); phenol; 2-propylcyclopenta-1,3-diene; 1,2,3,5-tetramethylcyclopenta-1,3-diene; tetrachloride CAS Name: phenol; propan-2-ylidenetitanium(1+); 2-propylcyclopenta-1,3-diene; 1,2,3,5-tetramethylcyclopenta-1,3-diene; tetrachloride IUPAC Name: phenol; propan-2-ylidenetitanium(1+); 2-propylcyclopenta-1,3-diene; 1,2,3,5-tetramethylcyclopenta-1,3-diene; tetrachloride Traditional Name: isopropylidenetitanium(1+); phenol; 2-propylcyclopenta-1,3-diene; 1,2,3,5-tetramethylcyclopenta-1,3-diene; tetrachloride Formula: C35H48Cl4O2Ti2-4 MolecularWeight: 738.30042

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[C-]CC=C1.CC1[C-]=C(C(=C1C)C)C.CC(=[Ti+])C.CC(=[Ti+])C.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CCCC1=[C-]CC=C1.CC1[C-]=C(C(=C1C)C)C.CC(=[Ti+])C.CC(=[Ti+])C.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.[Cl-].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C9H13.C8H11.2C6H6O.2C3H6.4ClH.2Ti/c1-6-5-7(2)9(4)8(6)3;1-2-5-8-6-3-4-7-8;2*7-6-4-2-1-3-5-6;2*1-3-2;;;;;;/h6H,1-4H3;3,6H,2,4-5H2,1H3;2*1-5,7H;2*1-2H3;4*1H;;/q2*-1;;;;;;;;;2*+1/p-4