oxidanyl(oxidanylidene)titanium; 3-propan-2-yl-2-tridecyl-benzenesulfonic acid

Systemtic Name: oxidanyl(oxidanylidene)titanium; 3-propan-2-yl-2-tridecyl-benzenesulfonic acid Openeye Name: hydroxy(oxo)titanium; 3-isopropyl-2-tridecyl-benzenesulfonic acid CAS Name: hydroxy(oxo)titanium; 3-propan-2-yl-2-tridecylbenzenesulfonic acid IUPAC Name: hydroxy(oxo)titanium; 3-propan-2-yl-2-tridecylbenzenesulfonic acid Traditional Name: hydroxy(keto)titanium; 3-isopropyl-2-tridecyl-besylic acid Formula: C22H39O5STi MolecularWeight: 463.47406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)C(C)C.O[Ti]=O

Isomeric SMILES

CCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)C(C)C.O[Ti]=O

InChI

InChI=1S/C22H38O3S.H2O.O.Ti/c1-4-5-6-7-8-9-10-11-12-13-14-16-21-20(19(2)3)17-15-18-22(21)26(23,24)25;;;/h15,17-19H,4-14,16H2,1-3H3,(H,23,24,25);1H2;;/q;;;+1/p-1