3-(Sulfooxy)-Estra-1(10),2,4,6,8-Pentaen-17-One Sodium Salt (1:1)
[CAS# 16680-48-1]

Identification

• Name: 3-(Sulfooxy)-Estra-1(10),2,4,6,8-Pentaen-17-One Sodium Salt (1:1)
• Synonyms: Estra-1,3,5,7,9-pentaen-17-one, 3-(sulfooxy)-, sodium salt
• Molecular Formula: C₁₈H₁₈NaO₅S
• Molecular Weight: 369.39
• CAS Registry Number: 16680-48-1
• EINECS: 240-728-8
• SMILES: [Na+].OS(=O)(=O)Oc4ccc3c(ccc1c3CC[C@]2(C)C(=O)CC[C@@H]12)c4
• InChI: 1S/C18H18O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h2-5,10,16H,6-9H2,1H3,(H,20,21,22);/q;+1/t16-,18-;/m0./s1
• InChIKey: QMLVWIVCALQEEX-AKXYIILFSA-N

Properties

• Refractive index: (Cal.)