Chem
J-GLOBAL ID：200907088373827937
Nikkaji number：J1.721.366K
9-(3-Bromo-2,6-dimethoxyphenyl)-9H-xanthene-9-ylium
9-(3-ブロモ-2,6-ジメトキシフェニル)-9H-キサンテン-9-イリウム
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： C20[C+]H16BrO3
Molecular formula furigana： C21-H16-BR-O3
Molecular weight： 396.259
InChI：
InChI=1S/C21H16BrO3/c1-23-18-12-11-15(22)21(24-2)20(18)19-13-7-3-5-9-16(13)25-17-10-6-4-8-14(17)19/h3-12H,1-2H3/q+1
InChI key：
RVANPVGWDWJSGR-UHFFFAOYSA-N
SMILES：
COc1ccc(Br)c(OC)c1[C+]1c2ccccc2Oc2ccccc12
Systematic name (2)：
- 9-(3-ブロモ-2,6-ジメトキシフェニル)-9H-キサンテン-9-イリウム
- 9-(3-bromo-2,6-dimethoxyphenyl)-9H-xanthen-9-ylium
- 9-(3-Bromo-2,6-dimethoxyphenyl)-9H-xanthene-9-ylium
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