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

Systemtic Name: 2-dodecyl-3-propan-2-yl-benzenesulfonic acid; oxidanyl(oxidanylidene)titanium Openeye Name: 2-dodecyl-3-isopropyl-benzenesulfonic acid; hydroxy(oxo)titanium CAS Name: 2-dodecyl-3-propan-2-ylbenzenesulfonic acid; hydroxy(oxo)titanium IUPAC Name: 2-dodecyl-3-propan-2-ylbenzenesulfonic acid; hydroxy(oxo)titanium Traditional Name: hydroxy(keto)titanium; 3-isopropyl-2-lauryl-besylic acid Formula: C21H37O5STi MolecularWeight: 449.44748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)C(C)C.O[Ti]=O

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)C(C)C.O[Ti]=O

InChI

InChI=1S/C21H36O3S.H2O.O.Ti/c1-4-5-6-7-8-9-10-11-12-13-15-20-19(18(2)3)16-14-17-21(20)25(22,23)24;;;/h14,16-18H,4-13,15H2,1-3H3,(H,22,23,24);1H2;;/q;;;+1/p-1