(3E,8R,11E,16R)-8,16-Dimethyl-1,9-Dioxacyclohexadeca-3,11-diene-2,5,10,13-tetrone
[CAS# 5739-85-5]

Identification

• Name: (3E,8R,11E,16R)-8,16-Dimethyl-1,9-Dioxacyclohexadeca-3,11-diene-2,5,10,13-tetrone
• Synonyms: Methyl 2-[[2-[(4-Ethoxyphenyl)-(4-Methylsulfanylphenyl)Sulfonyl-Amino]Acetyl]Amino]Benzoate; 2-[[2-[(4-Ethoxyphenyl)-[4-(Methylthio)Phenyl]Sulfonylamino]-1-Oxoethyl]Amino]Benzoic Acid Methyl Ester; 2-[[2-[(4-Ethoxyphenyl)-[4-(Methylthio)Phenyl]Sulfonyl-Amino]Acetyl]Amino]Benzoic Acid Methyl Ester
• Molecular Formula: C₂₅H₂₆N₂O₆S₂
• Molecular Weight: 514.61
• CAS Registry Number: 5739-85-5
• SMILES: C3=C([S](=O)(=O)N(C1=CC=C(OCC)C=C1)CC(=O)NC2=CC=CC=C2C(OC)=O)C=CC(=C3)SC
• InChI: 1S/C25H26N2O6S2/c1-4-33-19-11-9-18(10-12-19)27(35(30,31)21-15-13-20(34-3)14-16-21)17-24(28)26-23-8-6-5-7-22(23)25(29)32-2/h5-16H,4,17H2,1-3H3,(H,26,28)
• InChIKey: PHKKNULTXPHBBF-UHFFFAOYSA-N

Properties

• Density: 1.372g/cm³ (Cal.)