Products 440102-72-7

CAS 440102-72-7 appears in our catalog under these names: S 0507 - FEW Chemicals, 798 nm in MeOH, 1 g, glass, S 0507 - FEW Chemicals, 798 nm in MeOH, 5 g, plastic, S 0507 - FEW Chemicals, 798 nm in MeOH, 10 g, plastic. Offered by: Roth. Available pack sizes: 1g, 5g, 10g.

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

(2E)-1,3,3-trimethyl-2-[(2E)-2-[2-(1-phenyltetrazol-5-yl)sulfanyl-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indole chloride (CAS 440102-72-7) is a chemical compound with the molecular formula C39H41ClN6S and a molecular weight of 661.3 g/mol. IUPAC name: (2E)-1,3,3-trimethyl-2-[(2E)-2-[2-(1-phenyltetrazol-5-yl)sulfanyl-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indole chloride. InChIKey: JTALMCTWCLULIB-UHFFFAOYSA-M.

Identity
Molecular formulaC39H41ClN6S
Molecular weight661.3 g/mol
IUPAC name(2E)-1,3,3-trimethyl-2-[(2E)-2-[2-(1-phenyltetrazol-5-yl)sulfanyl-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indole chloride
InChIKeyJTALMCTWCLULIB-UHFFFAOYSA-M
SMILESCC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=CC=CC=C5N4C)(C)C)/CCC3)SC6=NN=NN6C7=CC=CC=C7)C)C.[Cl-]

Computed by PubChem (NCBI)