4-(4-aminophenyl)sulfonyl-2,3-didodecyl-5-propan-2-yl-benzenesulfonic acid; oxidanyl(oxidanylidene)titanium

Systemtic Name: 4-(4-aminophenyl)sulfonyl-2,3-didodecyl-5-propan-2-yl-benzenesulfonic acid; oxidanyl(oxidanylidene)titanium Openeye Name: 4-(4-aminophenyl)sulfonyl-2,3-didodecyl-5-isopropyl-benzenesulfonic acid; hydroxy(oxo)titanium CAS Name: 4-(4-aminophenyl)sulfonyl-2,3-didodecyl-5-propan-2-ylbenzenesulfonic acid; hydroxy(oxo)titanium IUPAC Name: 4-(4-aminophenyl)sulfonyl-2,3-didodecyl-5-propan-2-ylbenzenesulfonic acid; hydroxy(oxo)titanium Traditional Name: hydroxy(keto)titanium; 5-isopropyl-2,3-dilauryl-4-sulfanilyl-besylic acid Formula: C39H66NO7S2Ti MolecularWeight: 772.94084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=C(C(=C1CCCCCCCCCCCC)S(=O)(=O)C2=CC=C(C=C2)N)C(C)C)S(=O)(=O)O.O[Ti]=O

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=C(C(=C1CCCCCCCCCCCC)S(=O)(=O)C2=CC=C(C=C2)N)C(C)C)S(=O)(=O)O.O[Ti]=O

InChI

InChI=1S/C39H65NO5S2.H2O.O.Ti/c1-5-7-9-11-13-15-17-19-21-23-25-35-36(26-24-22-20-18-16-14-12-10-8-6-2)39(37(32(3)4)31-38(35)47(43,44)45)46(41,42)34-29-27-33(40)28-30-34;;;/h27-32H,5-26,40H2,1-4H3,(H,43,44,45);1H2;;/q;;;+1/p-1