Hydrogen 5-phenyl-3-(3-sulphonatopropyl)-2-[2-[[3-(3-sulphonatopropyl)-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]benzoxazolium,lithium salt

CAS

81424-68-2

Catalog Number

ACM81424682

Category

Other Products

Molecular Weight

632.673320 [g/mol]

Molecular Formula

C31H33LiN2O8S2

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 279-761-8, 81424-68-2, Hydrogen 5-phenyl-3-(3-sulphonatopropyl)-2-(2-((3-(3-sulphonatopropyl)-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)benzoxazolium, lithium salt

IUPAC Name

lithium 3-[(2Z)-2-[(2Z)-2-[[5-phenyl-3-(3-sulfonatopropyl)-3a,4-dihydro-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate

Canonical SMILES

[Li+].CCC(=CC1=[N+](C2=CC=CC=C2O1)CCCS(=O)(=O)O)C=C3N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CCCS(=O)(=O)[O-]

InChI Key

ZZLSTJSAGLXMLZ-UHFFFAOYSA-M

EC Number

279-761-8

Exact Mass

632.18400

H-Bond Acceptor

H-Bond Donor