(3E)-3-(2-Methyl-6H-Benzo[c][1]Benzothiepin-11-Ylidene)Propanoic Acid
[CAS# 112930-60-6]

Identification

• Name: (3E)-3-(2-Methyl-6H-Benzo[c][1]Benzothiepin-11-Ylidene)Propanoic Acid
• Synonyms: 3-(2-Methyl-6H-Benzo[C][1]Benzothiepin-11-Ylidene)Propanoic Acid; 3-(2-Methyl-6H-Benzo[C][1]Benzothiepin-11-Ylidene)Propionic Acid; (3E)-3-(2-Methyl-6H-Benzo[C][1]Benzothiepin-11-Ylidene)Propionic Acid
• Molecular Formula: C₁₈H₁₆O₂S
• Molecular Weight: 296.38
• CAS Registry Number: 112930-60-6
• SMILES: C3=C2\C(C1=CC=CC=C1CSC2=CC=C3C)=C\CC(=O)O
• InChI: 1S/C18H16O2S/c1-12-6-8-17-16(10-12)15(7-9-18(19)20)14-5-3-2-4-13(14)11-21-17/h2-8,10H,9,11H2,1H3,(H,19,20)/b15-7+
• InChIKey: SSTKQFGZJJOWGS-VIZOYTHASA-N

Properties

• Density: 1.3g/cm³ (Cal.)
• Boiling point: 518.333°C at 760 mmHg (Cal.)
• Flash point: 267.278°C (Cal.)