Chem
J-GLOBAL ID:201807006130189170
Nikkaji number:J3.729.294J
4-[2,7-bis(2-carboxylatoethyl)-3-oxido-6-oxoxanthen-9-yl]benzene-1,3-dicarboxylate
4-[2,7-ビス(2-カルボキシラトエチル)-3-オキシド-6-オキソキサンテン-9-イル]ベンゼン-1,3-ジカルボキシラート
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Substance type:
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
Molecular formula:
C27 H15 O6 [O-]5
Molecular formula furigana:
C27-H15-O11
Molecular weight:
515.409
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)/p-5
InChI key:
WPJWCCYXUYHUIE-UHFFFAOYSA-I
SMILES:
c1(cc(c(cc1)c1c2c(oc3cc(=O)c(cc13)CCC(=O)[O-])cc(c(c2)CCC(=O)[O-])[O-])C(=O)[O-])C(=O)[O-]
Systematic name (2):
4-[2,7-ビス(2-カルボキシラトエチル)-6-オキシド-3-オキソ-3H-キサンテン-9-イル]ベンゼン-1,3-ジカルボキシラート
4-[2,7-bis(2-carboxylatoethyl)-6-oxido-3-oxo-3H-xanthen-9-yl]benzene-1,3-dicarboxylate
Other name (2):
4-[2,7-ビス(2-カルボキシラトエチル)-3-オキシド-6-オキソキサンテン-9-イル]ベンゼン-1,3-ジカルボキシラート
4-[2,7-bis(2-carboxylatoethyl)-3-oxido-6-oxoxanthen-9-yl]benzene-1,3-dicarboxylate
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