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3,3'-Dibutyl-2,2'-Dithiacarbocyanine
[CAS# 53213-95-9]

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CAS#: 53213-95-9
Product: 3,3'-Dibutyl-2,2'-Dithiacarbocyanine
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Identification
Name 3,3'-Dibutyl-2,2'-Dithiacarbocyanine
Synonyms Dis-C4(5) Iodide; 3,3'-Dibutyl-2,2'-Dithiacarbocyanine; Benzothiazolium, 3-Butyl-2-(5-(3-Butyl-2(3H)-Benzothiazolylidene)-1,3-Pentadienyl)-, Iodide
Molecular Structure CAS#: 53213-95-9, 3,3'-Dibutyl-2,2'-Dithiacarbocyanine
Molecular Formula C27H31IN2S2
Molecular Weight 574.58
CAS Registry Number 53213-95-9
SMILES C2=C1[N+](=C(SC1=CC=C2)C=C/C=C/C=C/4SC3=CC=CC=C3N4CCCC)CCCC.[I-]
InChI 1S/C27H31N2S2.HI/c1-3-5-20-28-22-14-10-12-16-24(22)30-26(28)18-8-7-9-19-27-29(21-6-4-2)23-15-11-13-17-25(23)31-27;/h7-19H,3-6,20-21H2,1-2H3;1H/q+1;/p-1
InChIKey FZQDCNSJSUBFFD-UHFFFAOYSA-M
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