Sodium 2-[(Z)-[4-(alpha-L-Allopyranosyloxy)-3-Chlorophenyl](3-Chloro-4-Oxo-2,5-Cyclohexadien-1-Ylidene)Methyl]Benzenesulfonate
[CAS# 201685-76-9]

Identification

• Name: Sodium 2-[(Z)-[4-(alpha-L-Allopyranosyloxy)-3-Chlorophenyl](3-Chloro-4-Oxo-2,5-Cyclohexadien-1-Ylidene)Methyl]Benzenesulfonate
• Synonyms: Chlorophenored-β-D-galaactopyranoside
• Molecular Formula: C₂₅H₂₁Cl₂NaO₁₀S
• Molecular Weight: 607.39
• CAS Registry Number: 201685-76-9
• SMILES: c1ccc(c(c1)/C(=C\2/C=CC(=O)C(=C2)Cl)/c3ccc(c(c3)Cl)O[C@H]4[C@H]([C@H]([C@H]([C@@H](O4)CO)O)O)O)S(=O)(=O)O[Na]
• InChI: 1S/C25H22Cl2O10S.Na/c26-15-9-12(5-7-17(15)29)21(14-3-1-2-4-20(14)38(33,34)35)13-6-8-18(16(27)10-13)36-25-24(32)23(31)22(30)19(11-28)37-25;/h1-10,19,22-25,28,30-32H,11H2,(H,33,34,35);/q;+1/p-1/b21-12-;/t19-,22-,23-,24-,25+;/m0./s1
• InChIKey: ZNPHUXRLBORSKC-OSRWJGCMSA-M

Properties

• Refractive index: (Cal.)