Chem
J-GLOBAL ID：201807010332786488
Nikkaji number：J3.720.660A
10,10′-Bis[(phenoxathiin 10,10-dioxide)-3-yl]-9,9′-spirobi[9,10-dihydroacridine]
10,10′-ビス[(フェノキサチイン10,10-ジオキシド)-3-イル]-9,9′-スピロビ[9,10-ジヒドロアクリジン]
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： C49H30N2O2[O-]4[S+2]2
Molecular formula furigana： C49-H30-N2-O6-S2
Molecular weight： 806.910
InChI：
InChI=1S/C49H30N2O6S2/c52-58(53)45-23-11-9-21-41(45)56-43-29-31(25-27-47(43)58)50-37-17-5-1-13-33(37)49(34-14-2-6-18-38(34)50)35-15-3-7-19-39(35)51(40-20-8-4-16-36(40)49)32-26-28-48-44(30-32)57-42-22-10-12-24-46(42)59(48,54)55/h1-30H
InChI key：
HPRYXCHQCGRAAN-UHFFFAOYSA-N
SMILES：
[O-][S+2]1([O-])c2ccccc2Oc2cc(ccc12)N1c2ccccc2C2(c3ccccc13)c1ccccc1N(c1ccc3c(Oc4ccccc4[S+2]3([O-])[O-])c1)c1ccccc21
Systematic name (3)：
- 10,10′-ビス[(フェノキサチイン10,10-ジオキシド)-3-イル]-9,9′-スピロビ[9,10-ジヒドロアクリジン]
- 3-[10'-(10,10-ジオキシド-10H-フェノキサチイン-10,10-ジイウム-3-イル)-10H,10'H-9,9'-スピロビ[アクリジン]-10-イル]-10H-フェノキサチイン-10,10-ジイウム-10,10-ビス(オラート)
- 3-[10'-(10,10-dioxido-10H-phenoxathiine-10,10-diium-3-yl)-10H,10'H-9,9'-spirobi[acridin]-10-yl]-10H-phenoxathiine-10,10-diium-10,10-bis(olate)
- 10,10′-Bis[(phenoxathiin 10,10-dioxide)-3-yl]-9,9′-spirobi[9,10-dihydroacridine]
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