oxidanyl(oxidanylidene)titanium; 2,3,4-tris(8-methylnonyl)-5-propan-2-yl-benzenesulfonic acid

Systemtic Name: oxidanyl(oxidanylidene)titanium; 2,3,4-tris(8-methylnonyl)-5-propan-2-yl-benzenesulfonic acid Openeye Name: hydroxy(oxo)titanium; 5-isopropyl-2,3,4-tris(8-methylnonyl)benzenesulfonic acid CAS Name: hydroxy(oxo)titanium; 2,3,4-tris(8-methylnonyl)-5-propan-2-ylbenzenesulfonic acid IUPAC Name: hydroxy(oxo)titanium; 2,3,4-tris(8-methylnonyl)-5-propan-2-ylbenzenesulfonic acid Traditional Name: hydroxy(keto)titanium; 5-isopropyl-2,3,4-tris(8-methylnonyl)besylic acid Formula: C39H73O5STi MolecularWeight: 701.92592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCC1=C(C(=C(C=C1C(C)C)S(=O)(=O)O)CCCCCCCC(C)C)CCCCCCCC(C)C.O[Ti]=O

Isomeric SMILES

CC(C)CCCCCCCC1=C(C(=C(C=C1C(C)C)S(=O)(=O)O)CCCCCCCC(C)C)CCCCCCCC(C)C.O[Ti]=O

InChI

InChI=1S/C39H72O3S.H2O.O.Ti/c1-31(2)24-18-12-9-15-21-27-35-36(28-22-16-10-13-19-25-32(3)4)38(34(7)8)30-39(43(40,41)42)37(35)29-23-17-11-14-20-26-33(5)6;;;/h30-34H,9-29H2,1-8H3,(H,40,41,42);1H2;;/q;;;+1/p-1