Chem
J-GLOBAL ID：202007015212135670
Nikkaji number：J3.746.617D
1,3,6,8-テトラキス(3,5-ジメルカプト-4-カルボキシフェニル)ピレン
1,3,6,8-テトラキス(3,5-ジメルカプト-4-カルボキシフェニル)ピレン
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： C44H26O8S8
Molecular formula furigana： C44-H26-O8-S8
Molecular weight： 939.160
InChI：
InChI=1S/C44H26O8S8/c45-41(46)37-27(53)5-15(6-28(37)54)23-13-25(17-9-31(57)39(43(49)50)32(58)10-17)21-3-4-22-26(18-11-33(59)40(44(51)52)34(60)12-18)14-24(20-2-1-19(23)35(21)36(20)22)16-7-29(55)38(42(47)48)30(56)8-16/h1-14,53-60H,(H,45,46)(H,47,48)(H,49,50)(H,51,52)
InChI key：
HUEUAKRJUHHGTO-UHFFFAOYSA-N
SMILES：
c1c(c2ccc3c(cc(c4ccc(c1c1cc(c(c(c1)S)C(=O)O)S)c2c34)c1cc(c(c(c1)S)C(=O)O)S)c1cc(c(c(c1)S)C(=O)O)S)c1cc(c(c(c1)S)C(=O)O)S
Systematic name (3)：
- 1,3,6,8-テトラキス(3,5-ジメルカプト-4-カルボキシフェニル)ピレン
- 2,6-ジスルファニル-4-[3,6,8-トリス(4-カルボキシ-3,5-ジスルファニルフェニル)ピレン-1-イル]安息香酸
- 2,6-disulfanyl-4-[3,6,8-tris(4-carboxy-3,5-disulfanylphenyl)pyren-1-yl]benzoic acid
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