Chem
J-GLOBAL ID:200907002853737359
Nikkaji number:J551.855E
5-Carboxy-3-(decyloxy)-9H-xanthene-4-propanoic acid
5-カルボキシ-3-(デシルオキシ)-9H-キサンテン-4-プロパン酸
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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 H34 O6
Molecular formula furigana:
C27-H34-O6
Molecular weight:
454.563
InChI:
InChI=1S/C27H34O6/c1-2-3-4-5-6-7-8-9-17-32-23-15-13-20-18-19-11-10-12-22(27(30)31)26(19)33-25(20)21(23)14-16-24(28)29/h10-13,15H,2-9,14,16-18H2,1H3,(H,28,29)(H,30,31)
InChI key:
XJHIFOUHAXQSKS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc2Cc3cccc(C(=O)O)c3Oc2c1CCC(=O)O
Systematic name (3):
5-カルボキシ-3-(デシルオキシ)-9H-キサンテン-4-プロパン酸
5-(2-カルボキシエチル)-6-(デシルオキシ)-9H-キサンテン-4-カルボン酸
5-(2-carboxyethyl)-6-(decyloxy)-9H-xanthene-4-carboxylic acid
Other name (1):
5-Carboxy-3-(decyloxy)-9H-xanthene-4-propanoic acid
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