2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-[[1-(4-chlorophenyl)-5,5-dimethylhex-3-en-2-yl]amino]propane-1-sulfonic acid;3-[[1-(4-chlorophenyl)-4,4-dimethylpent-2-enyl]amino]propane-1-sulfonic acid;3-[(5,5-dimethyl-1-phenylhex-3-en-2-yl)amino]propane-1-sulfonic acid;3-[(4,4-dimethyl-1-phenylpent-2-enyl)amino]propane-1-sulfonic acid;3-[[1-(4-fluorophenyl)-5,5-dimethylhex-3-en-2-yl]amino]propane-1-sulfonic acid;3-[[1-(4-fluorophenyl)-4,4-dimethylpent-2-enyl]amino]propane-1-sulfonic acid

4.2 InChI

InChI=1S/2C17H26ClNO3S.2C17H26FNO3S.C17H27NO3S.C16H24ClNO3S.C16H24FNO3S.C16H25NO3S/c4*1-17(2,3)10-9-16(19-11-4-12-23(20,21)22)13-14-5-7-15(18)8-6-14;1-17(2,3)11-10-16(14-15-8-5-4-6-9-15)18-12-7-13-22(19,20)21;2*1-16(2,3)10-9-15(13-5-7-14(17)8-6-13)18-11-4-12-22(19,20)21;1-16(2,3)11-10-15(14-8-5-4-6-9-14)17-12-7-13-21(18,19)20/h4*5-10,16,19H,4,11-13H2,1-3H3,(H,20,21,22);4-6,8-11,16,18H,7,12-14H2,1-3H3,(H,19,20,21);2*5-10,15,18H,4,11-12H2,1-3H3,(H,19,20,21);4-6,8-11,15,17H,7,12-13H2,1-3H3,(H,18,19,20)

4.3 InChIKey

FWBGLSJQAKCFNX-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(C)(C)C=CC(CC1=CC=CC=C1)NCCCS(=O)(=O)O.CC(C)(C)C=CC(CC1=CC=C(C=C1)F)NCCCS(=O)(=O)O.CC(C)(C)C=CC(CC1=CC=C(C=C1)F)NCCCS(=O)(=O)O.CC(C)(C)C=CC(CC1=CC=C(C=C1)Cl)NCCCS(=O)(=O)O.CC(C)(C)C=CC(CC1=CC=C(C=C1)Cl)NCCCS(=O)(=O)O.CC(C)(C)C=CC(C1=CC=CC=C1)NCCCS(=O)(=O)O.CC(C)(C)C=CC(C1=CC=C(C=C1)F)NCCCS(=O)(=O)O.CC(C)(C)C=CC(C1=CC=C(C=C1)Cl)NCCCS(=O)(=O)O

4.5 Isomeric SMILES

-

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)