(5Z)-7-{(1R,2S,3S,4S)-3-[(Phenylsulfonyl)Amino]Bicyclo[2.2.1]Hept-2-Yl}-5-Heptenoic Acid
[CAS# 115266-92-7]

Identification

• Name: (5Z)-7-{(1R,2S,3S,4S)-3-[(Phenylsulfonyl)Amino]Bicyclo[2.2.1]Hept-2-Yl}-5-Heptenoic Acid
• Synonyms: 5,7-(3-phenylsulfonylamino(2.2.1)bicyclohept-2-yl)heptenoic acid; 5-Heptenoic acid, 7-((1R,2S,3S,4S)-3-((phenylsulfonyl)amino)bicyclo(2.2.1)hept-2-yl)-, (5Z)-; 5-Heptenoic acid, 7-(3-((phenylsulfonyl)amino)bicyclo(2.2.1)hept-2-yl)-, (1R-(1α,2α(Z),3β,4α))-
• Molecular Formula: C₂₀H₂₇NO₄S
• Molecular Weight: 377.50
• CAS Registry Number: 115266-92-7
• SMILES: C1C[C@H]2C[C@@H]1[C@@H]([C@H]2NS(=O)(=O)C3=CC=CC=C3)C/C=C\CCCC(=O)O
• InChI: 1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m1/s1
• InChIKey: PWTCIBWRMQFJBC-ZEMKZVSASA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 563.4±42.0°C at 760 mmHg (Cal.)
• Flash point: 294.5±27.9°C (Cal.)
• Refractive index: 1.595 (Cal.)