oxidanyl(oxidanylidene)titanium; 2,3,4-tridodecyl-5-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: oxidanyl(oxidanylidene)titanium; 2,3,4-tridodecyl-5-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: hydroxy(oxo)titanium; 2,3,4-tridodecyl-5-oxo-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: hydroxy(oxo)titanium; 2,3,4-tridodecyl-5-oxo-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: hydroxy(oxo)titanium; 2,3,4-tridodecyl-5-oxocyclohexa-1,3-diene-1-sulfonic acid Traditional Name: hydroxy(keto)titanium; 5-keto-2,3,4-trilauryl-cyclohexa-1,3-diene-1-sulfonic acid Formula: C42H79O6STi MolecularWeight: 760.00506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(CC(=O)C(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)S(=O)(=O)O.O[Ti]=O

Isomeric SMILES

CCCCCCCCCCCCC1=C(CC(=O)C(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)S(=O)(=O)O.O[Ti]=O

InChI

InChI=1S/C42H78O4S.H2O.O.Ti/c1-4-7-10-13-16-19-22-25-28-31-34-38-39(35-32-29-26-23-20-17-14-11-8-5-2)41(43)37-42(47(44,45)46)40(38)36-33-30-27-24-21-18-15-12-9-6-3;;;/h4-37H2,1-3H3,(H,44,45,46);1H2;;/q;;;+1/p-1