2-[1-(4-aminophenyl)sulfonyldodecyl]benzenesulfonic acid; titanium

Systemtic Name: 2-[1-(4-aminophenyl)sulfonyldodecyl]benzenesulfonic acid; titanium Openeye Name: 2-[1-(4-aminophenyl)sulfonyldodecyl]benzenesulfonic acid; titanium CAS Name: 2-[1-(4-aminophenyl)sulfonyldodecyl]benzenesulfonic acid; titanium IUPAC Name: 2-[1-(4-aminophenyl)sulfonyldodecyl]benzenesulfonic acid; titanium Traditional Name: 2-(1-sulfanilyldodecyl)besylic acid; titanium Formula: C96H140N4O20S8Ti MolecularWeight: 1974.5406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)N.CCCCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)N.CCCCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)N.CCCCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)N.[Ti]

Isomeric SMILES

CCCCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)N.CCCCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)N.CCCCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)N.CCCCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)N.[Ti]

InChI

InChI=1S/4C24H35NO5S2.Ti/c4*1-2-3-4-5-6-7-8-9-10-14-23(22-13-11-12-15-24(22)32(28,29)30)31(26,27)21-18-16-20(25)17-19-21;/h4*11-13,15-19,23H,2-10,14,25H2,1H3,(H,28,29,30);