(3E)-3-(6H-Benzo[c][1]Benzothiepin-11-Ylidene)Propanoic Acid
[CAS# 112930-58-2]

Identification

• Name: (3E)-3-(6H-Benzo[c][1]Benzothiepin-11-Ylidene)Propanoic Acid
• Synonyms: (3E)-3-(6H-Benzo[C][1]Benzothiepin-11-Ylidene)Propionic Acid; (E)-3-(6,11-Dihydrodibenzo(B,E)Thiepin-11-Ylidene)Propionic Acid; Propanoic Acid, 3-Dibenzo(B,E)Thiepin-11(6H)-Ylidene-, (E)-
• Molecular Formula: C₁₇H₁₄O₂S
• Molecular Weight: 282.36
• CAS Registry Number: 112930-58-2
• SMILES: C3=C2\C(C1=CC=CC=C1CSC2=CC=C3)=C\CC(=O)O
• InChI: 1S/C17H14O2S/c18-17(19)10-9-14-13-6-2-1-5-12(13)11-20-16-8-4-3-7-15(14)16/h1-9H,10-11H2,(H,18,19)/b14-9+
• InChIKey: KZYGZHLREIDBJJ-NTEUORMPSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 509.623°C at 760 mmHg (Cal.)
• Flash point: 262.011°C (Cal.)