4-[(1-Hydroxy5,6,7,8-Tetrahydronaphthalene-2-Carbonyl)Amino]-3-(Methyl-Octadecylamino)Benzenesulfonic Acid
[CAS# 2589-61-9]

Identification

• Name: 4-[(1-Hydroxy5,6,7,8-Tetrahydronaphthalene-2-Carbonyl)Amino]-3-(Methyl-Octadecylamino)Benzenesulfonic Acid
• Synonyms: 4-[(5-Hydroxytetralin-6-Carbonyl)Amino]-3-(Methyl-Octadecyl-Amino)Benzenesulfonic Acid; 4-[[(5-Hydroxy-6-Tetralinyl)-Oxomethyl]Amino]-3-(Methyl-Octadecylamino)Benzenesulfonic Acid; 4-[(5-Hydroxytetralin-6-Carbonyl)Amino]-3-(Methyl-Stearyl-Amino)Benzenesulfonic Acid
• Molecular Formula: C₃₆H₅₆N₂O₅S
• Molecular Weight: 628.91
• CAS Registry Number: 2589-61-9
• EINECS: 219-977-1
• SMILES: C1=C([S](=O)(=O)O)C=CC(=C1N(CCCCCCCCCCCCCCCCCC)C)NC(=O)C2=CC=C3C(=C2O)CCCC3
• InChI: 1S/C36H56N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-38(2)34-28-30(44(41,42)43)24-26-33(34)37-36(40)32-25-23-29-21-18-19-22-31(29)35(32)39/h23-26,28,39H,3-22,27H2,1-2H3,(H,37,40)(H,41,42,43)
• InChIKey: YCETZYXKHCVZDL-UHFFFAOYSA-N

Properties

• Density: 1.133g/cm³ (Cal.)