3-[5-Methyl-2-[2-[[5-methyl-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate

CAS

23368-55-0

Catalog Number

ACM23368550

Category

Other Products

Molecular Weight

608.813 g/mol

Molecular Formula

C₂₇H₃₂N₂O₆S₄

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 245-615-7, CID90912, 3,3-Disulfopropyl-5,5-dimethyl-9-ethylthiacarbocyanine, 23368-55-0, 42942-97-2, 88216-25-5, Benzothiazolium, 5-methyl-2-(2-((5-methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfopropyl)-, inner salt, Benzothiazolium, 5-methyl-2-(2-((5-methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)-, inner salt, Hydrogen 5-methyl-2-(2-((5-methyl-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-3-(3-sulphonatopropyl)benzothiazolium

IUPAC Name

3-[5-methyl-2-[2-[[5-methyl-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate

Canonical SMILES

CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)C)CCCS(=O)(=O)O)C=C3N(C4=C(S3)C=CC(=C4)C)CCCS(=O)(=O)[O-]

InChI Key

OCKFAYCPGGIZTF-UHFFFAOYSA-N

EC Number

245-615-7

Exact Mass

608.11400

H-Bond Acceptor

H-Bond Donor