Benzoxazolium, 5-phenyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, sodium salt (1:1)
CAS Registry Number®
33628-03-4
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CAS Name
Benzoxazolium, 5-phenyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, sodium salt (1:1)Molecular Formula
C37H36N2O8S2.NaCite this Page
Benzoxazolium, 5-phenyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, sodium salt (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=33628-03-4 (retrieved ) (CAS RN: 33628-03-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C37H36N2O8S2.Na/c1-2-27(23-36-38(19-9-21-48(40,41)42)32-25-30(15-17-34(32)46-36)28-11-5-3-6-12-28)24-37-39(20-10-22-49(43,44)45)33-26-31(16-18-35(33)47-37)29-13-7-4-8-14-29;/h3-8,11-18,23-26H,2,9-10,19-22H2,1H3,(H-,40,41,42,43,44,45);
InChIKey
InChIKey=NWSAGTIZBJXJAT-UHFFFAOYSA-N
SMILES
C(CCS(=O)(=O)O)N1C=2C(OC1=CC(=CC3=[N+](CCCS(=O)(=O)[O-])C=4C(O3)=CC=C(C4)C5=CC=CC=C5)CC)=CC=C(C2)C6=CC=CC=C6.[Na]
Canonical SMILES
[Na].O=S(=O)([O-])CCC[N+]1=C(OC2=CC=C(C=C21)C=3C=CC=CC3)C=C(C=C4OC=5C=CC(=CC5N4CCCS(=O)(=O)O)C=6C=CC=CC6)CC
Other Names for this Substance
- Benzoxazolium, 5-phenyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, sodium salt (1:1)
- Benzoxazolium, 5-phenyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, hydroxide, inner salt, sodium salt
- Benzoxazolium, 5-phenyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2-benzoxazolinylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, hydroxide, inner salt, sodium salt
- Benzoxazolium, 5-phenyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, inner salt, sodium salt
- Anhydrobis(5-phenyl-3-3′-sulphopropyl-2-benzoxazole)-β-ethyltrimethincyanine hydroxide, sodium salt
Deleted or Replaced CAS Registry Numbers
121382-66-9
