Tetramethyl 5',5',8',9'-tetramethyl-6'-propanoylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
基本情報
- CAS
331761-21-8- 標準SMILES
CCC(=O)N1c2cc(C)c(C)cc2C2=C(SC(C(=O)OC)=C(C(=O)OC)C23SC(C(=O)OC)=C(C(=O)OC)S3)C1(C)C- InChIKey
HPRRSQOOSVSTOE-UHFFFAOYSA-N- 分子式
- C29H31NO9S3
- 平均分子量
- 633.8 g/mol
- 単同位体質量
- 633.11609509
名称と識別子
- 優先名称
- Tetramethyl 5',5',8',9'-tetramethyl-6'-propanoylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
- IUPAC
- tetramethyl 5',5',8',9'-tetramethyl-6'-propanoylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
名称と別名
331761-21-8Spiro[1,3-dithiole-2,1'-[1H]thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylic acid, 5',6'-dihydro-5',5',8',9'-tetramethyl-6'-(1-oxopropyl)-, tetramethyl estertetramethyl 5',5',8',9'-tetramethyl-6'-propionyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylatetetramethyl 5',5',8',9'-tetramethyl-6'-propanoylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylateDTXSID001099565STK508534AKOS001489264AG-690/37029022SR-01000449805SR-01000449805-1Spiro[1,3-dithiole-2,1a(2)-[1H]thiopyrano[2,3-c]quinoline]-2a(2),3a(2),4,5-tetracarboxylic acid, 5a(2),6a(2)-dihydro-5a(2),5a(2),8a(2),9a(2)-tetramethyl-6a(2)-(1-oxopropyl)-, tetramethyl estertetramethyl 5',5',8',9'-tetramethyl-6'-propanoyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
名称をさらに表示
tetramethyl 5',5',8',9'-tetramethyl-6'-propanoyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylatetetramethyl 5',5',8',9'-tetramethyl-6'-propionyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-(1'H)-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
物性
構造計算による物性
- XLogP
- 4
- 極性表面積
- 201 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 12
- 回転可能結合数
- 9
- 重原子数
- 42
- 形式電荷
- 0
- 複雑度
- 1,300
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