4-azanylbenzenesulfonic acid; 2,3-didodecylbenzenesulfonic acid; oxidanylidenetitanium

Systemtic Name: 4-azanylbenzenesulfonic acid; 2,3-didodecylbenzenesulfonic acid; oxidanylidenetitanium Openeye Name: 4-aminobenzenesulfonic acid; 2,3-didodecylbenzenesulfonic acid; oxotitanium CAS Name: 4-aminobenzenesulfonic acid; 2,3-didodecylbenzenesulfonic acid; oxotitanium IUPAC Name: 4-aminobenzenesulfonic acid; 2,3-didodecylbenzenesulfonic acid; oxotitanium Traditional Name: 4-aminobesylic acid; 2,3-dilaurylbesylic acid; ketotitanium Formula: C36H61NO7S2Ti MolecularWeight: 731.86904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)CCCCCCCCCCCC.C1=CC(=CC=C1N)S(=O)(=O)O.O=[Ti]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)CCCCCCCCCCCC.C1=CC(=CC=C1N)S(=O)(=O)O.O=[Ti]

InChI

InChI=1S/C30H54O3S.C6H7NO3S.O.Ti/c1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(34(31,32)33)29(28)26-22-20-18-16-14-12-10-8-6-4-2;7-5-1-3-6(4-2-5)11(8,9)10;;/h23,25,27H,3-22,24,26H2,1-2H3,(H,31,32,33);1-4H,7H2,(H,8,9,10);;