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2-[2-[[5,6-Dimethoxy-3-(4-Sulphonatobutyl)-3H-Benzothiazol-2-Ylidene]Methyl]But-1-Enyl]-3-Ethyl-5,6-Dimethylbenzothiazolium
[CAS# 97889-92-4]

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CAS#: 97889-92-4
Product: 2-[2-[[5,6-Dimethoxy-3-(4-Sulphonatobutyl)-3H-Benzothiazol-2-Ylidene]Methyl]But-1-Enyl]-3-Ethyl-5,6-Dimethylbenzothiazolium
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Identification
Name 2-[2-[[5,6-Dimethoxy-3-(4-Sulphonatobutyl)-3H-Benzothiazol-2-Ylidene]Methyl]But-1-Enyl]-3-Ethyl-5,6-Dimethylbenzothiazolium
Synonyms 2-(2-((5,6-Dimethoxy-3-(4-Sulphonatobutyl)-3H-Benzothiazol-2-Ylidene)Methyl)But-1-Enyl)-3-Ethyl-5,6-Dimethylbenzothiazolium
Molecular Structure CAS#: 97889-92-4, 2-[2-[[5,6-Dimethoxy-3-(4-Sulphonatobutyl)-3H-Benzothiazol-2-Ylidene]Methyl]But-1-Enyl]-3-Ethyl-5,6-Dimethylbenzothiazolium
Molecular Formula C29H36N2O5S3
Molecular Weight 588.79
CAS Registry Number 97889-92-4
EINECS 308-171-6
SMILES C2=C1N(C(SC1=CC(=C2OC)OC)=CC(=CC4=[N+](C3=CC(=C(C=C3S4)C)C)CC)CC)CCCC[S]([O-])(=O)=O
InChI 1S/C29H36N2O5S3/c1-7-21(15-28-30(8-2)22-13-19(3)20(4)14-26(22)37-28)16-29-31(11-9-10-12-39(32,33)34)23-17-24(35-5)25(36-6)18-27(23)38-29/h13-18H,7-12H2,1-6H3
InChIKey OYZPNSGLVBKWLO-UHFFFAOYSA-N
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