Chem
J-GLOBAL ID：200907003088696025   Nikkaji number：J1.334.131A

2-[[3-[[3-(3-Sulfonatopropyl)benzothiazole-2(3H)-ylidene]methyl]-5,5-dimethyl-2-cyclohexenylidene]methyl]-3-(3-sulfonatopropyl)benzothiazole-3-ium

2-[[3-[[3-(3-スルホナトプロピル)ベンゾチアゾール-2(3H)-イリデン]メチル]-5,5-ジメチル-2-シクロヘキセニリデン]メチル]-3-(3-スルホナトプロピル)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： C30H33N[N+]O4[O-]2S4
Molecular formula furigana： C30-H33-N2-O6-S4
Molecular weight： 645.840
InChI： InChI=1S/C30H34N2O6S4/c1-30(2)20-22(18-28-31(13-7-15-41(33,34)35)24-9-3-5-11-26(24)39-28)17-23(21-30)19-29-32(14-8-16-42(36,37)38)25-10-4-6-12-27(25)40-29/h3-6,9-12,17-19H,7-8,13-16,20-21H2,1-2H3,(H-,33,34,35,36,37,38)/p-1
InChI key： RHRQLTJYIQTTQJ-UHFFFAOYSA-M
SMILES： CC1(C)CC(=Cc2sc3ccccc3[n+]2CCCS(=O)(=O)[O-])C=C(C1)C=c1sc2ccccc2n1CCCS(=O)(=O)[O-]
Systematic name  (3)：
  • 2-[[3-[[3-(3-スルホナトプロピル)ベンゾチアゾール-2(3H)-イリデン]メチル]-5,5-ジメチル-2-シクロヘキセニリデン]メチル]-3-(3-スルホナトプロピル)ベンゾチアゾール-3-イウム
  • 2-[(5,5-ジメチル-3-{[3-(3-スルホナトプロピル)-2,3-ジヒドロ-1,3-ベンゾチアゾール-2-イリデン]メチル}シクロヘキサ-2-エン-1-イリデン)メチル]-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
  • 2-[(5,5-dimethyl-3-{[3-(3-sulfonatopropyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}cyclohex-2-en-1-ylidene)methyl]-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium
Other name (1)：
  • 2-[[3-[[3-(3-Sulfonatopropyl)benzothiazole-2(3H)-ylidene]methyl]-5,5-dimethyl-2-cyclohexenylidene]methyl]-3-(3-sulfonatopropyl)benzothiazole-3-ium
Thsaurus map：
Thesaurus Map

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