benzene; oxidanylidenetitanium; propane; propan-2-ylbenzene; dihydroxide

Systemtic Name: benzene; oxidanylidenetitanium; propane; propan-2-ylbenzene; dihydroxide Openeye Name: benzene; 1-methylethylbenzene; oxotitanium; propane; dihydroxide CAS Name: benzene; oxotitanium; propane; propan-2-ylbenzene; dihydroxide IUPAC Name: benzene; oxotitanium; propane; propan-2-ylbenzene; dihydroxide Traditional Name: benzene; ketotitanium; 1-methylethylbenzene; propane; dihydroxide Formula: C36H47O3Ti-7 MolecularWeight: 575.62358

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C.C[C-](C)C1=CC=CC=C1.C[C-](C)C1=CC=CC=C1.C[C-](C)C1=CC=CC=C1.C1=CC=[C-]C=C1.[OH-].[OH-].O=[Ti]

Isomeric SMILES

C[CH-]C.C[C-](C)C1=CC=CC=C1.C[C-](C)C1=CC=CC=C1.C[C-](C)C1=CC=CC=C1.C1=CC=[C-]C=C1.[OH-].[OH-].O=[Ti]

InChI

InChI=1S/3C9H11.C6H5.C3H7.2H2O.O.Ti/c3*1-8(2)9-6-4-3-5-7-9;1-2-4-6-5-3-1;1-3-2;;;;/h3*3-7H,1-2H3;1-5H;3H,1-2H3;2*1H2;;/q5*-1;;;;/p-2