benzenesulfinate; 2,2-dimethylpropane; dodecane; oxidanylidenetitanium; prop-1-ene; dihydroxide; hydrate

Systemtic Name: benzenesulfinate; 2,2-dimethylpropane; dodecane; oxidanylidenetitanium; prop-1-ene; dihydroxide; hydrate Openeye Name: benzenesulfinate; dodecane; neopentane; oxotitanium; prop-1-ene; dihydroxide; hydrate CAS Name: benzenesulfinate; 2,2-dimethylpropane; dodecane; oxotitanium; 1-propene; dihydroxide; hydrate IUPAC Name: benzenesulfinate; 2,2-dimethylpropane; dodecane; oxotitanium; prop-1-ene; dihydroxide; hydrate Traditional Name: benzenesulfinate; dodecane; ketotitanium; neopentane; prop-1-ene; dihydroxide; hydrate Formula: C53H106O6STi-8 MolecularWeight: 919.33714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC[CH2-].CCCCCCCCCCC[CH2-].CCCCCCCCCCC[CH2-].CC(C)(C)C.[CH2-]C=C.[CH2-]C=C.C1=CC=C(C=C1)S(=O)[O-].O.[OH-].[OH-].O=[Ti]

Isomeric SMILES

CCCCCCCCCCC[CH2-].CCCCCCCCCCC[CH2-].CCCCCCCCCCC[CH2-].CC(C)(C)C.[CH2-]C=C.[CH2-]C=C.C1=CC=C(C=C1)S(=O)[O-].O.[OH-].[OH-].O=[Ti]

InChI

InChI=1S/3C12H25.C6H6O2S.C5H12.2C3H5.3H2O.O.Ti/c3*1-3-5-7-9-11-12-10-8-6-4-2;7-9(8)6-4-2-1-3-5-6;1-5(2,3)4;2*1-3-2;;;;;/h3*1,3-12H2,2H3;1-5H,(H,7,8);1-4H3;2*3H,1-2H2;3*1H2;;/q3*-1;;;2*-1;;;;;/p-3