Products 76871-75-5

CAS 76871-75-5 appears in our catalog under these names: Dye 26, IR 26 (Dye 26). Offered by: Chemat Brand, TRC, Biosynth. Available pack sizes: on request, 100mg, 25mg, 10mg, 50mg.

Dye 26
Chemat Brand, Biosynth
  • size: on request, 25mg, 10mg, 50mg
  • Variants: 4
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IR 26 (Dye 26)
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylthiochromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylthiochromenylium perchlorate (CAS 76871-75-5) is a chemical compound with the molecular formula C40H30Cl2O4S2 and a molecular weight of 709.7 g/mol. IUPAC name: 4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylthiochromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylthiochromenylium perchlorate. InChIKey: UQPOJGGXKFKEGG-UHFFFAOYSA-M.

Identity
Molecular formulaC40H30Cl2O4S2
Molecular weight709.7 g/mol
IUPAC name4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylthiochromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylthiochromenylium perchlorate
InChIKeyUQPOJGGXKFKEGG-UHFFFAOYSA-M
SMILESC1CC(=C(/C(=C/C=C/2\C=C(SC3=CC=CC=C32)C4=CC=CC=C4)/C1)Cl)/C=C/C5=CC(=[S+]C6=CC=CC=C65)C7=CC=CC=C7.[O-]Cl(=O)(=O)=O

Computed by PubChem (NCBI)