4-azanyl-2,3-bis[(2-dodecylphenyl)sulfonyl]-5-propan-2-yl-benzenesulfonic acid; oxidanyl(oxidanylidene)titanium

Systemtic Name: 4-azanyl-2,3-bis[(2-dodecylphenyl)sulfonyl]-5-propan-2-yl-benzenesulfonic acid; oxidanyl(oxidanylidene)titanium Openeye Name: 4-amino-2,3-bis[(2-dodecylphenyl)sulfonyl]-5-isopropyl-benzenesulfonic acid; hydroxy(oxo)titanium CAS Name: 4-amino-2,3-bis[(2-dodecylphenyl)sulfonyl]-5-propan-2-ylbenzenesulfonic acid; hydroxy(oxo)titanium IUPAC Name: 4-amino-2,3-bis[(2-dodecylphenyl)sulfonyl]-5-propan-2-ylbenzenesulfonic acid; hydroxy(oxo)titanium Traditional Name: 4-amino-5-isopropyl-2,3-bis[(2-laurylphenyl)sulfonyl]besylic acid; hydroxy(keto)titanium Formula: C45H70NO9S3Ti MolecularWeight: 913.1006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)C2=C(C=C(C(=C2S(=O)(=O)C3=CC=CC=C3CCCCCCCCCCCC)N)C(C)C)S(=O)(=O)O.O[Ti]=O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)C2=C(C=C(C(=C2S(=O)(=O)C3=CC=CC=C3CCCCCCCCCCCC)N)C(C)C)S(=O)(=O)O.O[Ti]=O

InChI

InChI=1S/C45H69NO7S3.H2O.O.Ti/c1-5-7-9-11-13-15-17-19-21-23-29-37-31-25-27-33-40(37)54(47,48)44-42(56(51,52)53)35-39(36(3)4)43(46)45(44)55(49,50)41-34-28-26-32-38(41)30-24-22-20-18-16-14-12-10-8-6-2;;;/h25-28,31-36H,5-24,29-30,46H2,1-4H3,(H,51,52,53);1H2;;/q;;;+1/p-1