Hydrogen 5-Phenyl-2-[2-[[5-Phenyl-3-(4-Sulphonatobutyl)-3H-Benzoxazol-2-Ylidene]Methyl]But-1-Enyl]-3-(4-Sulphonatobutyl)Benzoxazolium, Monosodium Salt
[CAS# 53841-35-3]

Identification

• Name: Hydrogen 5-Phenyl-2-[2-[[5-Phenyl-3-(4-Sulphonatobutyl)-3H-Benzoxazol-2-Ylidene]Methyl]But-1-Enyl]-3-(4-Sulphonatobutyl)Benzoxazolium, Monosodium Salt
• Synonyms: Hydrogen 5-Phenyl-2-(2-((5-Phenyl-3-(4-Sulphonatobutyl)-3H-Benzoxazol-2-Ylidene)Methyl)But-1-Enyl)-3-(4-Sulphonatobutyl)Benzoxazolium, Monosodium Salt
• Molecular Formula: C₃₉H₄₁N₂NaO₈S₂
• Molecular Weight: 752.87
• CAS Registry Number: 53841-35-3
• EINECS: 258-820-1
• SMILES: C2=C1[N+](=C(OC1=CC=C2C3=CC=CC=C3)C=C(C=C5OC4=CC=C(CC4N5CCCC[S]([O-])(=O)=O)C6=CC=CC=C6)CC)CCCC[S]([O-])(=O)=O.[Na+]
• InChI: 1S/C39H42N2O8S2.Na/c1-2-29(25-38-40(21-9-11-23-50(42,43)44)34-27-32(17-19-36(34)48-38)30-13-5-3-6-14-30)26-39-41(22-10-12-24-51(45,46)47)35-28-33(18-20-37(35)49-39)31-15-7-4-8-16-31;/h3-8,13-20,25-27,35H,2,9-12,21-24,28H2,1H3,(H-,42,43,44,45,46,47);/q;+1/p-1
• InChIKey: LZMQOKOSGHNMBV-UHFFFAOYSA-M