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

Systemtic Name: 3-(4-aminophenyl)sulfonyl-4,5-didodecyl-2-propan-2-yl-benzenesulfonic acid; titanium Openeye Name: 3-(4-aminophenyl)sulfonyl-4,5-didodecyl-2-isopropyl-benzenesulfonic acid; titanium CAS Name: 3-(4-aminophenyl)sulfonyl-4,5-didodecyl-2-propan-2-ylbenzenesulfonic acid; titanium IUPAC Name: 3-(4-aminophenyl)sulfonyl-4,5-didodecyl-2-propan-2-ylbenzenesulfonic acid; titanium Traditional Name: 2-isopropyl-4,5-dilauryl-3-sulfanilyl-besylic acid; titanium Formula: C156H260N4O20S8Ti MolecularWeight: 2816.1354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C39H65NO5S2.Ti/c4*1-5-7-9-11-13-15-17-19-21-23-25-33-31-37(47(43,44)45)38(32(3)4)39(46(41,42)35-29-27-34(40)28-30-35)36(33)26-24-22-20-18-16-14-12-10-8-6-2;/h4*27-32H,5-26,40H2,1-4H3,(H,43,44,45);