3-Hydroxy-17-(4-Nitrophenyldithio)-1,3,5(10)-Estratriene
[CAS# 83797-05-1]

Identification

• Name: 3-Hydroxy-17-(4-Nitrophenyldithio)-1,3,5(10)-Estratriene
• Synonyms: Ohnpdte; 3-Hydroxy-17-(4-Nitrophenyldithio)-1,3,5(10)-Estratriene; 3-Hydroxy-17Beta-(4-Nitrophenyldithio)-1,3,5(10)-Estratriene
• Molecular Formula: C₂₄H₂₇NO₃S₂
• Molecular Weight: 441.60
• CAS Registry Number: 83797-05-1
• SMILES: [C@@H]23CCC1=C(C=CC(=C1)O)[C@H]2CC[C@]4([C@H]3CC[C@@H]4SSC5=CC=C(C=C5)[N+](=O)[O-])C
• InChI: 1S/C24H27NO3S2/c1-24-13-12-20-19-9-5-17(26)14-15(19)2-8-21(20)22(24)10-11-23(24)30-29-18-6-3-16(4-7-18)25(27)28/h3-7,9,14,20-23,26H,2,8,10-13H2,1H3/t20-,21-,22+,23+,24+/m1/s1
• InChIKey: PYCKYYGXDFDCCB-DJCPXJLLSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 612.169°C at 760 mmHg (Cal.)
• Flash point: 324.028°C (Cal.)