Chem
J-GLOBAL ID：200907093011216070   Nikkaji number：J2.562.155G

2-[2-Ethyl-3-[2,3-dihydro-3-[3-(sodiosulfo)propyl]-5-methoxybenzothiazole-2-ylidene]-1-propenyl]-3-(3-sulfonatopropyl)-5-methoxybenzothiazole-3-ium

2-[2-エチル-3-[2,3-ジヒドロ-3-[3-(ソジオスルホ)プロピル]-5-メトキシベンゾチアゾール-2-イリデン]-1-プロペニル]-3-(3-スルホナトプロピル)-5-メトキシベンゾチアゾール-3-イウム
Substance type：
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
Molecular formula： C27H31N[N+]NaO7[O-]S4
Molecular formula furigana： C27-H31-N2-NA-O8-S4
Molecular weight： 662.780
InChI： InChI=1S/C27H32N2O8S4.Na/c1-4-19(15-26-28(11-5-13-40(30,31)32)22-17-20(36-2)7-9-24(22)38-26)16-27-29(12-6-14-41(33,34)35)23-18-21(37-3)8-10-25(23)39-27;/h7-10,15-18H,4-6,11-14H2,1-3H3,(H-,30,31,32,33,34,35);/q;+1/p-1
InChI key： MUCDHDDGSFSLMR-UHFFFAOYSA-M
SMILES： CCC(=Cc1sc2ccc(OC)cc2[n+]1CCCS(=O)(=O)[O-])C=c1sc2ccc(OC)cc2n1CCCS(=O)(=O)O[Na]
Systematic name  (3)：
  • 2-[2-エチル-3-[2,3-ジヒドロ-3-[3-(ソジオスルホ)プロピル]-5-メトキシベンゾチアゾール-2-イリデン]-1-プロペニル]-3-(3-スルホナトプロピル)-5-メトキシベンゾチアゾール-3-イウム
  • 5-メトキシ-2-{2-[(5-メトキシ-3-{3-[(ソジオオキシ)スルホニル]プロピル}-2,3-ジヒドロ-1,3-ベンゾチアゾール-2-イリデン)メチル]ブタ-1-エン-1-イル}-3-(3-スルホナトプロピル)-1,3-ベンゾチアゾール-3-イウム
  • 5-methoxy-2-{2-[(5-methoxy-3-{3-[(sodiooxy)sulfonyl]propyl}-2,3-dihydro-1,3-benzothiazol-2-ylidene)methyl]but-1-en-1-yl}-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium
Other name (1)：
  • 2-[2-Ethyl-3-[2,3-dihydro-3-[3-(sodiosulfo)propyl]-5-methoxybenzothiazole-2-ylidene]-1-propenyl]-3-(3-sulfonatopropyl)-5-methoxybenzothiazole-3-ium
Thsaurus map：
Thesaurus Map

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