Chem
J-GLOBAL ID：201607014721367688   Nikkaji number：J3.471.830J

2α-(4-Chlorophenyl)-3β,8β-bis(3-chlorophenyl)-5-(1,3-dithiolane-2-ylidene)-1,2,7,8-tetrahydrocyclohepta[b]pyrrole-4,6(3H,5H)-dione

2α-(4-クロロフェニル)-3β,8β-ビス(3-クロロフェニル)-5-(1,3-ジチオラン-2-イリデン)-1,2,7,8-テトラヒドロシクロヘプタ[b]ピロール-4,6(3H,5H)-ジオン
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： C30H22Cl3NO2S2
Molecular formula furigana： C30-H22-CL3-N-O2-S2
Molecular weight： 598.980
InChI： InChI=1S/C30H22Cl3NO2S2/c31-19-9-7-16(8-10-19)27-24(18-4-2-6-21(33)14-18)26-28(34-27)22(17-3-1-5-20(32)13-17)15-23(35)25(29(26)36)30-37-11-12-38-30/h1-10,13-14,22,24,27,34H,11-12,15H2/t22-,24-,27+/m0/s1
InChI key： IYQODNDCXKAEHH-WFIHMLKPSA-N
SMILES： Clc1ccc(cc1)[C@H]1NC2=C([C@@H]1c1cccc(Cl)c1)C(=O)C(=C1SCCS1)C(=O)C[C@H]2c1cccc(Cl)c1
Systematic name  (3)：
  • 2α-(4-クロロフェニル)-3β,8β-ビス(3-クロロフェニル)-5-(1,3-ジチオラン-2-イリデン)-1,2,7,8-テトラヒドロシクロヘプタ[b]ピロール-4,6(3H,5H)-ジオン
  • (2S,3S,8S)-3,8-ビス(3-クロロフェニル)-2-(4-クロロフェニル)-5-(1,3-ジチオラン-2-イリデン)-1H,2H,3H,4H,5H,6H,7H,8H-シクロヘプタ[b]ピロール-4,6-ジオン
  • (2S,3S,8S)-3,8-bis(3-chlorophenyl)-2-(4-chlorophenyl)-5-(1,3-dithiolan-2-ylidene)-1H,2H,3H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrole-4,6-dione
Other name (1)：
  • 2α-(4-Chlorophenyl)-3β,8β-bis(3-chlorophenyl)-5-(1,3-dithiolane-2-ylidene)-1,2,7,8-tetrahydrocyclohepta[b]pyrrole-4,6(3H,5H)-dione
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