3-[[1,3-Dioxo-3-[3-[(1-Oxooctadecyl)Amino]Phenyl]Propyl]Amino]-4-Methoxybenzenesulphonic Acid
[CAS# 27982-29-2]

Identification

• Name: 3-[[1,3-Dioxo-3-[3-[(1-Oxooctadecyl)Amino]Phenyl]Propyl]Amino]-4-Methoxybenzenesulphonic Acid
• Synonyms: 4-Methoxy-3-[[3-[3-(Octadecanoylamino)Phenyl]-3-Oxo-Propanoyl]Amino]Benzenesulfonic Acid; 3-[[1,3-Dioxo-3-[3-(1-Oxooctadecylamino)Phenyl]Propyl]Amino]-4-Methoxybenzenesulfonic Acid; 3-[[3-Keto-3-(3-Stearamidophenyl)Propanoyl]Amino]-4-Methoxy-Benzenesulfonic Acid
• Molecular Formula: C₃₄H₅₀N₂O₇S
• Molecular Weight: 630.84
• CAS Registry Number: 27982-29-2
• EINECS: 248-756-2
• SMILES: C1=C([S](=O)(=O)O)C=CC(=C1NC(=O)CC(=O)C2=CC(=CC=C2)NC(=O)CCCCCCCCCCCCCCCCC)OC
• InChI: 1S/C34H50N2O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33(38)35-28-20-18-19-27(24-28)31(37)26-34(39)36-30-25-29(44(40,41)42)22-23-32(30)43-2/h18-20,22-25H,3-17,21,26H2,1-2H3,(H,35,38)(H,36,39)(H,40,41,42)
• InChIKey: WBRNAYOLDDFLPV-UHFFFAOYSA-N

Properties

• Density: 1.163g/cm³ (Cal.)