dodecane; oxidanyl(oxidanylidene)titanium; propan-2-ol; sulfinatobenzene

Systemtic Name: dodecane; oxidanyl(oxidanylidene)titanium; propan-2-ol; sulfinatobenzene Openeye Name: dodecane; hydroxy(oxo)titanium; propan-2-ol; sulfinatobenzene CAS Name: dodecane; hydroxy(oxo)titanium; 2-propanol; sulfinatobenzene IUPAC Name: dodecane; hydroxy(oxo)titanium; propan-2-ol; sulfinatobenzene Traditional Name: dodecane; hydroxy(keto)titanium; propan-2-ol; sulfinatobenzene Formula: C21H39O5STi-2 MolecularWeight: 451.46336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25.C6H5O2S.C3H8O.H2O.O.Ti/c1-3-5-7-9-11-12-10-8-6-4-2;7-9(8)6-4-2-1-3-5-6;1-3(2)4;;;/h1,3-12H2,2H3;1-5H;3-4H,1-2H3;1H2;;/q2*-1;;;;+1/p-1