CAS 120724-84-7 3,3,3',3'-Tetramethyl-1,1'-bis(4-sulfobutyl)indocarbocyanine Sodium Salt, ≥98%

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3,3,3',3'-Tetramethyl-1,1'-bis(4-sulfobutyl)indocarbocyanine Sodium Salt, ≥98%

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Catalog Number

ACM120724847-2

Product Name

3,3,3',3'-Tetramethyl-1,1'-bis(4-sulfobutyl)indocarbocyanine Sodium Salt, ≥98%

Structure

CAS

120724-84-7

Category

Other Materials

IUPAC Name

sodium;4-[(2E)-2-[3-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate

Molecular Weight

622.8g/mol

Molecular Formula

C31H39N2NaO6S2

Canonical SMILES

CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3CCCCS(=O)(=O)[O-])(C)C)CCCCS(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C31H40N2O6S2.Na/c1-30(2)24-14-5-7-16-26(24)32(20-9-11-22-40(34,35)36)28(30)18-13-19-29-31(3,4)25-15-6-8-17-27(25)33(29)21-10-12-23-41(37,38)39;/h5-8,13-19H,9-12,20-23H2,1-4H3,(H-,34,35,36,37,38,39);/q;+1/p-1

InChI Key

SBQIZSUJAUKSIJ-UHFFFAOYSA-M

Complexity

1120

Covalently-Bonded Unit Count

Exact Mass

622.214724g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

622.214724g/mol

Rotatable Bond Count