Chem
J-GLOBAL ID：200907068353175460
Nikkaji number：J1.496.729J
3-Oxo-6-hydroxy-9-(2,4-dicarboxyphenyl)-3H-xanthene-2,7-dipropionic acid
3-オキソ-6-ヒドロキシ-9-(2,4-ジカルボキシフェニル)-3H-キサンテン-2,7-ジプロピオン酸
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： C27H20O11
Molecular formula furigana： C27-H20-O11
Molecular weight： 520.446
InChI：
InChI=1S/C27H20O11/c28-19-10-21-17(7-12(19)2-5-23(30)31)25(15-4-1-14(26(34)35)9-16(15)27(36)37)18-8-13(3-6-24(32)33)20(29)11-22(18)38-21/h1,4,7-11,28H,2-3,5-6H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)
InChI key：
WPJWCCYXUYHUIE-UHFFFAOYSA-N
SMILES：
OC(=O)CCc1cc2c(c3ccc(cc3C(=O)O)C(=O)O)c3cc(CCC(=O)O)c(=O)cc3oc2cc1O
Systematic name (5)：
- 3-オキソ-6-ヒドロキシ-9-(2,4-ジカルボキシフェニル)-3H-キサンテン-2,7-ビスプロピオン酸
- 4-[2,7-ビス(2-カルボキシエチル)-3-オキソ-6-ヒドロキシ-3H-キサンテン-9-イル]イソフタル酸
- 3-オキソ-6-ヒドロキシ-9-(2,4-ジカルボキシフェニル)-3H-キサンテン-2,7-ジプロピオン酸
- 4-[2,7-ビス(2-カルボキシエチル)-6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル]ベンゼン-1,3-ジカルボン酸
- 4-[2,7-bis(2-carboxyethyl)-6-hydroxy-3-oxo-3H-xanthen-9-yl]benzene-1,3-dicarboxylic acid
- 3-Oxo-6-hydroxy-9-(2,4-dicarboxyphenyl)-3H-xanthene-2,7-bispropionic acid
- 4-[2,7-Bis(2-carboxyethyl)-3-oxo-6-hydroxy-3H-xanthene-9-yl]isophthalic acid
- 3-Oxo-6-hydroxy-9-(2,4-dicarboxyphenyl)-3H-xanthene-2,7-dipropionic acid
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