82532-76-1 Purity
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Specification
The molecular formula of Styryl 9M is C27H31ClN2O4S.
The synonym for Styryl 9M is "Dye content ~98 % 2-{6[-(4-Dimethylaminophenyl)-2,4-neopentenylene]-1,3,5-hexatrienyl}-3-methylbenzthiazolium perchlorate".
The molecular weight of Styryl 9M is 515.1 g/mol.
Styryl 9M was created on December 5, 2007.
Styryl 9M was last modified on December 2, 2023.
The IUPAC name of Styryl 9M is 4-[(E)-2-[(3Z)-5,5-dimethyl-3-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]ethenyl]-N,N-dimethylaniline;perchlorate.
The InChI of Styryl 9M is InChI=1S/C27H31N2S.ClHO4/c1-27(2)18-21(11-10-20-12-14-23(15-13-20)28(3)4)16-22(19-27)17-26-29(5)24-8-6-7-9-25(24)30-26;2-1(3,4)5/h6-17H,18-19H2,1-5H3;(H,2,3,4,5)/q+1;/p-1.
The InChIKey of Styryl 9M is ZVJQLQFMYXZEDW-UHFFFAOYSA-M.
The canonical SMILES of Styryl 9M is CC1(CC(=CC(=CC2=[N+](C3=CC=CC=C3S2)C)C1)C=CC4=CC=C(C=C4)N(C)C)C.[O-]Cl(=O)(=O)=O.
The rotational bond count of Styryl 9M is 4.