CAS 64285-36-5 5-[1,1-Dimethyl-3-(4-sulfonatobutyl)benz[e]indolin-2-ylidene]-1-[1,1-dimethyl-3-(4-sulfonatobutyl)benz[e]indolium-2-yl]-1,3-pentadiene Sodium Salt, ≥98%

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5-[1,1-Dimethyl-3-(4-sulfonatobutyl)benz[e]indolin-2-ylidene]-1-[1,1-dimethyl-3-(4-sulfonatobutyl)benz[e]indolium-2-yl]-1,3-pentadiene Sodium Salt, ≥98%

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Catalog Number

ACM64285365-2

Product Name

5-[1,1-Dimethyl-3-(4-sulfonatobutyl)benz[e]indolin-2-ylidene]-1-[1,1-dimethyl-3-(4-sulfonatobutyl)benz[e]indolium-2-yl]-1,3-pentadiene Sodium Salt, ≥98%

Structure

CAS

64285-36-5

Category

Other Materials

IUPAC Name

sodium;4-[(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate

Molecular Weight

748.9g/mol

Molecular Formula

C41H45N2NaO6S2

Canonical SMILES

CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])C=CC=CC=C4C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+]

InChI

InChI=1S/C41H46N2O6S2.Na/c1-40(2)36(42(26-12-14-28-50(44,45)46)34-24-22-30-16-8-10-18-32(30)38(34)40)20-6-5-7-21-37-41(3,4)39-33-19-11-9-17-31(33)23-25-35(39)43(37)27-13-15-29-51(47,48)49;/h5-11,16-25H,12-15,26-29H2,1-4H3,(H-,44,45,46,47,48,49);/q;+1/p-1

InChI Key

LAYIHRUYRMYLTJ-UHFFFAOYSA-M

Complexity

1440

Covalently-Bonded Unit Count

Exact Mass

748.261674g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

dye NK 1841;NK 1841 (dye);NK-1841

Monoisotopic Mass