Products 162411-22-5

CAS 162411-22-5 is the registry number for NIR 4d. Offered by: Chemat. Available pack sizes: 10mg, 50mg.

NIR 4d
Chemat
  • size: 10mg, 50mg
  • Variants: 2
from 1148.37
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Structural formula: {0} (CAS {1})

4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[5-methoxy-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-3,3-dimethylindol-1-yl]butane-1-sulfonate (CAS 162411-22-5) is a chemical compound with the molecular formula C40H51ClN2O8S2 and a molecular weight of 787.4 g/mol. IUPAC name: 4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[5-methoxy-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-3,3-dimethylindol-1-yl]butane-1-sulfonate. InChIKey: MNVASHPKEQOKQS-UHFFFAOYSA-N.

Identity
Molecular formulaC40H51ClN2O8S2
Molecular weight787.4 g/mol
IUPAC name4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[5-methoxy-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-3,3-dimethylindol-1-yl]butane-1-sulfonate
InChIKeyMNVASHPKEQOKQS-UHFFFAOYSA-N
SMILESCC1(C2=C(C=CC(=C2)OC)[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC(=C5)OC)(C)C)/CCC3)Cl)CCCCS(=O)(=O)O)C

Computed by PubChem (NCBI)