Chem
J-GLOBAL ID:201607010139208340
Nikkaji number:J3.530.975F
N,N-Dimethyl-6-(dimethylamino)-9-(4-carboxylato-2-carboxyphenyl)-3H-xanthene-3-ylideneiminium
3-カルボキシ-4-[6-(ジメチルアミノ)-3-(ジメチルイミニウミル)-3H-キサンテン-9-イル]ベンゾアート
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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:
C25 H22 N[N+]O4 [O-]
Molecular formula furigana:
C25-H22-N2-O5
Molecular weight:
430.460
InChI:
InChI=1S/C25H22N2O5/c1-26(2)15-6-9-18-21(12-15)32-22-13-16(27(3)4)7-10-19(22)23(18)17-8-5-14(24(28)29)11-20(17)25(30)31/h5-13H,1-4H3,(H-,28,29,30,31)
InChI key:
YMZMTOFQCVHHFB-UHFFFAOYSA-N
SMILES:
CN(C)c1ccc2c(c3ccc(cc3C(=O)O)C(=O)[O-])c3ccc(=[N+](C)C)cc3oc2c1
Systematic name (3):
N,N-ジメチル-6-(ジメチルアミノ)-9-(4-カルボキシラト-2-カルボキシフェニル)-3H-キサンテン-3-イリデンイミニウム
3-カルボキシ-4-[6-(ジメチルアミノ)-3-(ジメチルイミニウミル)-3H-キサンテン-9-イル]ベンゾアート
3-carboxy-4-[6-(dimethylamino)-3-(dimethyliminiumyl)-3H-xanthen-9-yl]benzoate
Other name (1):
N,N-Dimethyl-6-(dimethylamino)-9-(4-carboxylato-2-carboxyphenyl)-3H-xanthene-3-ylideneiminium
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