Chem
J-GLOBAL ID：201807011814052470
Nikkaji number：J3.683.326B
2-[5-Thioxo-4′,5′-bis(isopropylthio)-Δ2,2′-bi[1,3-dithiol]-4-ylidene]-1,3-dithiol-4,5-dicarboxylic acid dimethyl ester
2-[5-チオキソ-4′,5′-ビス(イソプロピルチオ)-Δ2,2′-ビ[1,3-ジチオール]-4-イリデン]-1,3-ジチオール-4,5-ジカルボン酸ジメチル
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： C19H20O4S9
Molecular formula furigana： C19-H20-O4-S9
Molecular weight： 600.910
InChI：
InChI=1S/C19H20O4S9/c1-7(2)25-16-17(26-8(3)4)32-19(31-16)18-29-11(14(24)30-18)15-27-9(12(20)22-5)10(28-15)13(21)23-6/h7-8H,1-6H3
InChI key：
ZWROKVDUKJVXPK-UHFFFAOYSA-N
SMILES：
COC(=O)C1=C(S/C(=c\2/s/c(=C\3/SC(=C(SC(C)C)S3)SC(C)C)/sc2=S)/S1)C(=O)OC
Systematic name (3)：
- 2-[5-チオキソ-4′,5′-ビス(イソプロピルチオ)-Δ2,2′-ビ[1,3-ジチオール]-4-イリデン]-1,3-ジチオール-4,5-ジカルボン酸ジメチル
- 4,5-ジメチル 2-{2-[4,5-ビス(プロパン-2-イルスルファニル)-2H-1,3-ジチオール-2-イリデン]-5-スルファニリデン-1,3-ジチオラン-4-イリデン}-2H-1,3-ジチオール-4,5-ジカルボキシラート
- 4,5-dimethyl 2-{2-[4,5-bis(propan-2-ylsulfanyl)-2H-1,3-dithiol-2-ylidene]-5-sulfanylidene-1,3-dithiolan-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
- 2-[5-Thioxo-4′,5′-bis(isopropylthio)-Δ2,2′-bi[1,3-dithiol]-4-ylidene]-1,3-dithiol-4,5-dicarboxylic acid dimethyl ester
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