oxidanyl(oxidanylidene)titanium; 2,3,4-tridodecyl-5-(2-methylprop-2-enoyl)benzenesulfonic acid

Systemtic Name: oxidanyl(oxidanylidene)titanium; 2,3,4-tridodecyl-5-(2-methylprop-2-enoyl)benzenesulfonic acid Openeye Name: hydroxy(oxo)titanium; 2,3,4-tridodecyl-5-(2-methylprop-2-enoyl)benzenesulfonic acid CAS Name: hydroxy(oxo)titanium; 2,3,4-tridodecyl-5-(2-methyl-1-oxoprop-2-enyl)benzenesulfonic acid IUPAC Name: hydroxy(oxo)titanium; 2,3,4-tridodecyl-5-(2-methylprop-2-enoyl)benzenesulfonic acid Traditional Name: hydroxy(keto)titanium; 2,3,4-trilauryl-5-methacryloyl-besylic acid Formula: C46H83O6STi MolecularWeight: 812.07962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=C(C=C1C(=O)C(=C)C)S(=O)(=O)O)CCCCCCCCCCCC)CCCCCCCCCCCC.O[Ti]=O

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=C(C=C1C(=O)C(=C)C)S(=O)(=O)O)CCCCCCCCCCCC)CCCCCCCCCCCC.O[Ti]=O

InChI

InChI=1S/C46H82O4S.H2O.O.Ti/c1-6-9-12-15-18-21-24-27-30-33-36-41-42(37-34-31-28-25-22-19-16-13-10-7-2)44(46(47)40(4)5)39-45(51(48,49)50)43(41)38-35-32-29-26-23-20-17-14-11-8-3;;;/h39H,4,6-38H2,1-3,5H3,(H,48,49,50);1H2;;/q;;;+1/p-1