Chem
J-GLOBAL ID：200907067042848376
Nikkaji number：J1.291.281A
2′,4,4′,5,5′,7′-Hexachloro-6-carboxy-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthene]-3-one
2',4,4',5,5',7'-ヘキサクロロ-3',6'-ジヒドロキシ-3-オキソ-3H-スピロ[2-ベンゾフラン-1,9'-キサンテン]-6-カルボン酸
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
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
Molecular formula： C21H6Cl6O7
Molecular formula furigana： C21-H6-CL6-O7
Molecular weight： 582.970
InChI：
InChI=1S/C21H6Cl6O7/c22-8-2-6-17(13(26)15(8)28)33-18-7(3-9(23)16(29)14(18)27)21(6)5-1-4(19(30)31)11(24)12(25)10(5)20(32)34-21/h1-3,28-29H,(H,30,31)
InChI key：
VCCBAGGYMBCANZ-UHFFFAOYSA-N
SMILES：
OC(=O)c1cc2c(C(=O)OC32c2cc(Cl)c(O)c(Cl)c2Oc2c(Cl)c(O)c(Cl)cc32)c(Cl)c1Cl
Systematic name (4)：
- 2′,4,4′,5,5′,7′-ヘキサクロロ-6-カルボキシ-3′,6′-ジヒドロキシスピロ[イソベンゾフラン-1(3H),9′-[9H]キサンテン]-3-オン
- 2′,4,4′,5,5′,7′-ヘキサクロロ-3′,6′-ジヒドロキシ-3-オキソスピロ[イソベンゾフラン-1(3H),9′-[9H]キサンテン]-6-カルボン酸
- 2',4,4',5,5',7'-ヘキサクロロ-3',6'-ジヒドロキシ-3-オキソ-3H-スピロ[2-ベンゾフラン-1,9'-キサンテン]-6-カルボン酸
- 2',4,4',5,5',7'-hexachloro-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid
- 2′,4,4′,5,5′,7′-Hexachloro-6-carboxy-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthene]-3-one
- 2′,4,4′,5,5′,7′-Hexachloro-3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthene]-6-carboxylic acid
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