Chem
J-GLOBAL ID：201107058628271751   Nikkaji number：J2.919.594C

3-[2-(3-Methyl-2,3-dihydrobenzoxazole-2-ylidenemethyl)-1-thia-3-azonia-1H-indene-3-yl]propane-1-sulfonate

2-[(3-メチル-2,3-ジヒドロ-1,3-ベンゾオキサゾール-2-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
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： C19H18N[N+]O3[O-]S2
Molecular formula furigana： C19-H18-N2-O4-S2
Molecular weight： 402.480
InChI： InChI=1S/C19H18N2O4S2/c1-20-14-7-2-4-9-16(14)25-18(20)13-19-21(11-6-12-27(22,23)24)15-8-3-5-10-17(15)26-19/h2-5,7-10,13H,6,11-12H2,1H3
InChI key： AHPYSIGATYXERL-UHFFFAOYSA-N
SMILES： Cn1c(=Cc2sc3ccccc3[n+]2CCCS(=O)(=O)[O-])oc2ccccc12
Systematic name  (3)：
  • 3-[2-(3-メチル-2,3-ジヒドロベンゾオキサゾール-2-イリデンメチル)-1-チア-3-アゾニア-1H-インデン-3-イル]プロパン-1-スルホナート
  • 2-[(3-メチル-2,3-ジヒドロ-1,3-ベンゾオキサゾール-2-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-[(3-methyl-2,3-dihydro-1,3-benzoxazol-2-ylidene)methyl]-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium
Other name (1)：
  • 3-[2-(3-Methyl-2,3-dihydrobenzoxazole-2-ylidenemethyl)-1-thia-3-azonia-1H-indene-3-yl]propane-1-sulfonate
Thsaurus map：
Thesaurus Map

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