Chem
J-GLOBAL ID：201207062460599041   Nikkaji number：J3.098.881G

3,3′-(2-Phenyl-2-thiazoline-4,5-diylidene)-2,2′-dimethyl-2,2′-bi[2,3-dihydrobenzo[b]thiophene]1,1,1′,1′-tetraoxide

3,3′-(2-フェニル-2-チアゾリン-4,5-ジイリデン)-2,2′-ジメチル-2,2′-ビ[2,3-ジヒドロベンゾ[b]チオフェン]1,1,1′,1′-テトラオキシド
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： C27H19N[O-]4S[S+2]2
Molecular formula furigana： C27-H19-N-O4-S3
Molecular weight： 517.630
InChI： InChI=1S/C27H19NO4S3/c1-26-21(17-12-6-8-14-19(17)34(26,29)30)23-24(33-25(28-23)16-10-4-3-5-11-16)22-18-13-7-9-15-20(18)35(31,32)27(22,26)2/h3-15H,1-2H3
InChI key： CEQJYXSBBLHJPC-UHFFFAOYSA-N
SMILES： CC12C(=c3nc(sc3=C3c4ccccc4[S+2]([O-])([O-])C23C)c2ccccc2)c2ccccc2[S+2]1([O-])[O-]
Systematic name  (3)：
  • 3,3′-(2-フェニル-2-チアゾリン-4,5-ジイリデン)-2,2′-ジメチル-2,2′-ビ[2,3-ジヒドロベンゾ[b]チオフェン]1,1,1′,1′-テトラオキシド
  • 1,2-ジメチル-13-フェニル-3,12,23-トリチア-14-アザヘキサシクロ[14.7.0.02,10.04,9.011,15.017,22]トリコサ-4,6,8,10,13,15,17,19,21-ノナエン-3,3,23,23-テトライウム-3,3,23,23-テトラキス(オラート)
  • 1,2-dimethyl-13-phenyl-3,12,23-trithia-14-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4,6,8,10,13,15,17,19,21-nonaene-3,3,23,23-tetraium-3,3,23,23-tetrakis(olate)
Other name (1)：
  • 3,3′-(2-Phenyl-2-thiazoline-4,5-diylidene)-2,2′-dimethyl-2,2′-bi[2,3-dihydrobenzo[b]thiophene]1,1,1′,1′-tetraoxide
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