Products 1438644-82-6

CAS 1438644-82-6 appears in our catalog under these names: VIS-589 Trimethine-, Cyanine Sodium Salt, 1 g, glass, S 2165 - FEW Chemicals, 589 nm in MeOH, 5 g, plastic, S 2165 - FEW Chemicals, 589 nm in MeOH, 10 g, plastic. Offered by: Roth. Available pack sizes: 1g, 5g, 10g.

Structural formula: {0} (CAS {1})

Sodium;4-[(2E)-2-[(E)-3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonic acid;hydroxide (CAS 1438644-82-6) is a chemical compound with the molecular formula C39H46N2NaO7S2+ and a molecular weight of 741.9 g/mol. IUPAC name: sodium;4-[(2E)-2-[(E)-3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonic acid;hydroxide. InChIKey: JSDMKHVRPAPHEI-UHFFFAOYSA-N.

Identity
Molecular formulaC39H46N2NaO7S2+
Molecular weight741.9 g/mol
IUPAC namesodium;4-[(2E)-2-[(E)-3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonic acid;hydroxide
InChIKeyJSDMKHVRPAPHEI-UHFFFAOYSA-N
SMILESCC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)O)/C=C/C=C/4\C(C5=C(N4CCCCS(=O)(=O)O)C=CC6=CC=CC=C65)(C)C)C.[OH-].[Na+]

Computed by PubChem (NCBI)