Chem
J-GLOBAL ID：200907042125271302
Nikkaji number：J1.028.039G
3,3′-Disulfopropyl-5,5′-dichloro-9-ethylthiacarbocyanine
5,5′-ジクロロ-3,3′-ジスルホプロピル-9-エチルチアカルボシアニン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C25H27Cl2N[N+]O6S4
Molecular formula furigana： C25-H27-CL2-N2-O6-S4
Molecular weight： 650.640
InChI：
InChI=1S/C25H26Cl2N2O6S4/c1-2-17(13-24-28(9-3-11-38(30,31)32)20-15-18(26)5-7-22(20)36-24)14-25-29(10-4-12-39(33,34)35)21-16-19(27)6-8-23(21)37-25/h5-8,13-16H,2-4,9-12H2,1H3,(H-,30,31,32,33,34,35)/p+1
InChI key：
FRMYXXTYHMKKGA-UHFFFAOYSA-O
SMILES：
CCC(=Cc1sc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)O)C=c1sc2ccc(Cl)cc2n1CCCS(=O)(=O)O
Systematic name (8)：
- 2-[3-[[3-(3-スルホプロピル)-2,3-ジヒドロ-5-クロロベンゾチアゾール]-2-イリデン]-2-エチル-1-プロペニル]-3-(3-スルホプロピル)-5-クロロベンゾチアゾール-3-イウム
- 5-クロロ-3-(3-スルホプロピル)-2-[2-エチル-3-[5-クロロ-3-(3-スルホプロピル)-2,3-ジヒドロベンゾチアゾール-2-イリデン]-1-プロペニル]ベンゾチアゾール-3-イウム
- 3-(3-スルホプロピル)-5-クロロ-2-[2-エチル-3-[3-(3-スルホプロピル)-5-クロロ-2,3-ジヒドロベンゾチアゾール-2-イリデン]-1-プロペニル]ベンゾチアゾール-3-イウム
- 2-[3-[3-(3-スルホプロピル)-5-クロロ-2,3-ジヒドロベンゾチアゾール-2-イリデン]-2-エチル-1-プロペニル]-3-(3-スルホプロピル)-5-クロロベンゾチアゾール-3-イウム
- 5-クロロ-2-[2-[5-クロロ-3-(3-スルホプロピル)ベンゾチアゾール-2(3H)-イリデンメチル]-1-ブテニル]-3-(3-スルホプロピル)ベンゾチアゾール-3-イウム
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- 2-[3-[[3-(3-Sulfopropyl)-2,3-dihydro-5-chlorobenzothiazole]-2-ylidene]-2-ethyl-1-propenyl]-3-(3-sulfopropyl)-5-chlorobenzothiazole-3-ium
- 3,3′-Disulfopropyl-5,5′-dichloro-9-ethylthiacarbocyanine
- 5,5′-ジクロロ-3,3′-ジスルホプロピル-9-エチルチアカルボシアニン
- 5-Chloro-3-(3-sulfopropyl)-2-[2-ethyl-3-[5-chloro-3-(3-sulfopropyl)-2,3-dihydrobenzothiazole-2-ylidene]-1-propenyl]benzothiazole-3-ium
- 3-(3-Sulfopropyl)-5-chloro-2-[2-ethyl-3-[3-(3-sulfopropyl)-5-chloro-2,3-dihydrobenzothiazole-2-ylidene]-1-propenyl]benzothiazole-3-ium
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