2-methylcyclopenta-1,3-diene; phenol; propan-2-ylidenetitanium; dichloride; hydrate

Systemtic Name: 2-methylcyclopenta-1,3-diene; phenol; propan-2-ylidenetitanium; dichloride; hydrate Openeye Name: isopropylidenetitanium; 2-methylcyclopenta-1,3-diene; phenol; dichloride; hydrate CAS Name: 2-methylcyclopenta-1,3-diene; phenol; propan-2-ylidenetitanium; dichloride; hydrate IUPAC Name: 2-methylcyclopenta-1,3-diene; phenol; propan-2-ylidenetitanium; dichloride; hydrate Traditional Name: isopropylidenetitanium; 2-methylcyclopenta-1,3-diene; phenol; dichloride; hydrate Formula: C30H40Cl2O3Ti2-4 MolecularWeight: 615.2768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H6O.2C6H7.2C3H6.2ClH.H2O.2Ti/c2*7-6-4-2-1-3-5-6;2*1-6-4-2-3-5-6;2*1-3-2;;;;;/h2*1-5,7H;2*2,4H,3H2,1H3;2*1-2H3;2*1H;1H2;;/q;;2*-1;;;;;;;/p-2