bis(oxidanyl)-oxidanylidene-titanium; (2-dodecylphenyl)sulfonyl 2-(4-aminophenyl)sulfonyl-2-oxidanylidene-ethanoate

Systemtic Name: bis(oxidanyl)-oxidanylidene-titanium; (2-dodecylphenyl)sulfonyl 2-(4-aminophenyl)sulfonyl-2-oxidanylidene-ethanoate Openeye Name: dihydroxy(oxo)titanium; (2-dodecylphenyl)sulfonyl 2-(4-aminophenyl)sulfonyl-2-oxo-acetate CAS Name: 2-(4-aminophenyl)sulfonyl-2-oxoacetic acid (2-dodecylphenyl)sulfonyl ester; dihydroxy(oxo)titanium IUPAC Name: dihydroxy(oxo)titanium; (2-dodecylphenyl)sulfonyl 2-(4-aminophenyl)sulfonyl-2-oxoacetate Traditional Name: dihydroxy(keto)titanium; 2-keto-2-sulfanilyl-acetic acid (2-laurylphenyl)sulfonyl ester Formula: C26H37NO10S2Ti MolecularWeight: 635.56968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)OC(=O)C(=O)S(=O)(=O)C2=CC=C(C=C2)N.O[Ti](=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)OC(=O)C(=O)S(=O)(=O)C2=CC=C(C=C2)N.O[Ti](=O)O

InChI

InChI=1S/C26H35NO7S2.2H2O.O.Ti/c1-2-3-4-5-6-7-8-9-10-11-14-21-15-12-13-16-24(21)36(32,33)34-25(28)26(29)35(30,31)23-19-17-22(27)18-20-23;;;;/h12-13,15-20H,2-11,14,27H2,1H3;2*1H2;;/q;;;;+2/p-2