Chem
J-GLOBAL ID:200907011757084866
Nikkaji number:J584.359F
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ジウィッテリオン
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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:
C28 H30 N[N+]O2 [O-]
Molecular formula furigana:
C28-H30-N2-O3
Molecular weight:
442.559
InChI:
InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18H,5-8H2,1-4H3
InChI key:
CVAVMIODJQHEEH-UHFFFAOYSA-N
SMILES:
CCN(CC)c1ccc2c(c3ccccc3C(=O)[O-])c3ccc(=[N+](CC)CC)cc3oc2c1
Systematic name (6):
Other name (6):
2-(3-Diethyliminio-6-diethylamino-3H-xanthen-9-yl)benzoic acid anion
2-[3-(Diethyliminio)-6-(diethylamino)-3H-xanthene-9-yl]benzoic acid anion
9-(2-Carboxylatophenyl)-6-(diethylamino)-3H-xanthene-3-ylidenediethyliminium
2-[3-(Diethyliminio)-6-(diethylamino)-3H-xanthene-9-yl]benzoate
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