benzenesulfinate; dodecane; oxidanidyl(oxidanylidene)titanium; propane; hydroxide

Systemtic Name: benzenesulfinate; dodecane; oxidanidyl(oxidanylidene)titanium; propane; hydroxide Openeye Name: benzenesulfinate; dodecane; oxido(oxo)titanium; propane; hydroxide CAS Name: benzenesulfinate; dodecane; oxido(oxo)titanium; propane; hydroxide IUPAC Name: benzenesulfinate; dodecane; oxido(oxo)titanium; propane; hydroxide Traditional Name: benzenesulfinate; dodecane; keto(oxido)titanium; propane; hydroxide Formula: C45H88O5STi-7 MolecularWeight: 789.10922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C12H25.C6H6O2S.C3H7.H2O.2O.Ti/c3*1-3-5-7-9-11-12-10-8-6-4-2;7-9(8)6-4-2-1-3-5-6;1-3-2;;;;/h3*1,3-12H2,2H3;1-5H,(H,7,8);3H,1-2H3;1H2;;;/q3*-1;;-1;;;-1;/p-2