Chem
J-GLOBAL ID：201207055732601419
Nikkaji number：J3.088.354C
[9-(2-Carboxy-5-bromophenyl)-6-(dimethylamino)-3H-xanthene-3-ylidene]dimethyliminium
9-(5-ブロモ-2-カルボキシフェニル)-6-(ジメチルアミノ)-N,N-ジメチル-3H-キサンテン-3-イミニウム
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： C24H22BrN[N+]O3
Molecular formula furigana： C24-H22-BR-N2-O3
Molecular weight： 466.354
InChI：
InChI=1S/C24H21BrN2O3/c1-26(2)15-6-9-18-21(12-15)30-22-13-16(27(3)4)7-10-19(22)23(18)20-11-14(25)5-8-17(20)24(28)29/h5-13H,1-4H3/p+1
InChI key：
YINHQZAGVCLSAK-UHFFFAOYSA-O
SMILES：
CN(C)c1ccc2c(c3cc(Br)ccc3C(=O)O)c3ccc(=[N+](C)C)cc3oc2c1
Systematic name (3)：
- [9-(2-カルボキシ-5-ブロモフェニル)-6-(ジメチルアミノ)-3H-キサンテン-3-イリデン]ジメチルイミニウム
- 9-(5-ブロモ-2-カルボキシフェニル)-6-(ジメチルアミノ)-N,N-ジメチル-3H-キサンテン-3-イミニウム
- 9-(5-bromo-2-carboxyphenyl)-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium
- [9-(2-Carboxy-5-bromophenyl)-6-(dimethylamino)-3H-xanthene-3-ylidene]dimethyliminium
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