Ecamsule
[CAS# 92761-26-7]

Identification

• Name: Ecamsule
• Synonyms: [(3E)-3-[[4-[(Z)-[7,7-Dimethyl-3-Oxo-4-(Sulfomethyl)Norbornan-2-Ylidene]Methyl]Phenyl]Methylene]-7,7-Dimethyl-2-Oxo-Norbornan-1-Yl]Methanesulfonic Acid; [(3E)-3-[[4-[(Z)-[7,7-Dimethyl-3-Oxo-4-(Sulfomethyl)-2-Norbornanylidene]Methyl]Phenyl]Methylene]-7,7-Dimethyl-2-Oxo-1-Norbornanyl]Methanesulfonic Acid; [(3E)-2-Keto-3-[4-[(Z)-[3-Keto-7,7-Dimethyl-4-(Sulfomethyl)Norbornan-2-Ylidene]Methyl]Benzylidene]-7,7-Dimethyl-Norbornan-1-Yl]Methanesulfonic Acid
• Molecular Formula: C₂₈H₃₄O₈S₂
• Molecular Weight: 562.69
• CAS Registry Number: 92761-26-7
• SMILES: C3=C(\C=C1/C2C(C(C1=O)(CC2)C[S](=O)(=O)O)(C)C)C=CC(=C3)/C=C4/C5C(C(C4=O)(CC5)C[S](=O)(=O)O)(C)C
• InChI: 1S/C28H34O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-22H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13-,20-14+
• InChIKey: HEAHZSUCFKFERC-LRVMPXQBSA-N

Properties

• Density: 1.424g/cm³ (Cal.)