4-azanyl-2-propan-2-yl-benzenesulfonic acid; 2,3-didodecylbenzenesulfonic acid; oxidanylidenetitanium

Systemtic Name: 4-azanyl-2-propan-2-yl-benzenesulfonic acid; 2,3-didodecylbenzenesulfonic acid; oxidanylidenetitanium Openeye Name: 4-amino-2-isopropyl-benzenesulfonic acid; 2,3-didodecylbenzenesulfonic acid; oxotitanium CAS Name: 4-amino-2-propan-2-ylbenzenesulfonic acid; 2,3-didodecylbenzenesulfonic acid; oxotitanium IUPAC Name: 4-amino-2-propan-2-ylbenzenesulfonic acid; 2,3-didodecylbenzenesulfonic acid; oxotitanium Traditional Name: 4-amino-2-isopropyl-besylic acid; 2,3-dilaurylbesylic acid; ketotitanium Formula: C39H67NO7S2Ti MolecularWeight: 773.94878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54O3S.C9H13NO3S.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;1-6(2)8-5-7(10)3-4-9(8)14(11,12)13;;/h23,25,27H,3-22,24,26H2,1-2H3,(H,31,32,33);3-6H,10H2,1-2H3,(H,11,12,13);;