(3E)-3-[[3,4-Dihydroxy-5-[(4-Nitrophenyl)Sulfanylmethyl]Phenyl]Methylidene]Oxolan-2-One
[CAS# 107803-27-0]

Identification

• Name: (3E)-3-[[3,4-Dihydroxy-5-[(4-Nitrophenyl)Sulfanylmethyl]Phenyl]Methylidene]Oxolan-2-One
• Synonyms: (3E)-3-[[3,4-Dihydroxy-5-[(4-Nitrophenyl)Sulfanylmethyl]Phenyl]Methylene]Tetrahydrofuran-2-One; (3E)-3-[[3,4-Dihydroxy-5-[[(4-Nitrophenyl)Thio]Methyl]Phenyl]Methylene]-2-Tetrahydrofuranone; (3E)-3-[3,4-Dihydroxy-5-[[(4-Nitrophenyl)Thio]Methyl]Benzylidene]Tetrahydrofuran-2-One
• Molecular Formula: C₁₈H₁₅NO₆S
• Molecular Weight: 373.38
• CAS Registry Number: 107803-27-0
• SMILES: C1=C(C=C(O)C(=C1CSC2=CC=C([N+]([O-])=O)C=C2)O)\C=C/3C(OCC3)=O
• InChI: 1S/C18H15NO6S/c20-16-9-11(7-12-5-6-25-18(12)22)8-13(17(16)21)10-26-15-3-1-14(2-4-15)19(23)24/h1-4,7-9,20-21H,5-6,10H2/b12-7+
• InChIKey: IBPQZZQVKYXRLG-KPKJPENVSA-N

Properties

• Density: 1.526g/cm³ (Cal.)
• Boiling point: 682.693°C at 760 mmHg (Cal.)
• Flash point: 366.679°C (Cal.)