Chem
J-GLOBAL ID：201407039267289542
Nikkaji number：J3.288.159I
1,1′-(Decane-1,10-diyl)bis(3,3-dimethyl-2-(2-(2-chloro-3-(2-((1-(4-sulfonatobutyl)-3,3-dimethyl-3H-indole-1-ium)-2-yl)vinyl)-2-cyclohexene-1-ylidene)ethylidene)-2,3-dihydro-1H-indole)
1,1′-(デカン-1,10-ジイル)ビス(3,3-ジメチル-2-(2-(2-クロロ-3-(2-((1-(4-スルホナトブチル)-3,3-ジメチル-3H-インドール-1-イウム)-2-イル)ビニル)-2-シクロヘキセン-1-イリデン)エチリデン)-2,3-ジヒドロ-1H-インドール)
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： C78H96Cl2N2[N+]2O4[O-]2S2
Molecular formula furigana： C78-H96-CL2-N4-O6-S2
Molecular weight： 1320.670
InChI：
InChI=1S/C78H96Cl2N4O6S2/c1-75(2)61-35-15-19-39-65(61)81(69(75)47-43-57-31-29-33-59(73(57)79)45-49-71-77(5,6)63-37-17-21-41-67(63)83(71)53-25-27-55-91(85,86)87)51-23-13-11-9-10-12-14-24-52-82-66-40-20-16-36-62(66)76(3,4)70(82)48-44-58-32-30-34-60(74(58)80)46-50-72-78(7,8)64-38-18-22-42-68(64)84(72)54-26-28-56-92(88,89)90/h15-22,35-50H,9-14,23-34,51-56H2,1-8H3
InChI key：
UWJFMLVKGPWQQA-UHFFFAOYSA-N
SMILES：
CC1(C)C(=CC=C2CCCC(=C2Cl)C=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)N(CCCCCCCCCCN2C(=CC=C3CCCC(=C3Cl)C=CC3=[N+](CCCCS(=O)(=O)[O-])c4ccccc4C3(C)C)C(C)(C)c3ccccc23)c2ccccc12
Systematic name (3)：
- 1,1′-(デカン-1,10-ジイル)ビス(3,3-ジメチル-2-(2-(2-クロロ-3-(2-((1-(4-スルホナトブチル)-3,3-ジメチル-3H-インドール-1-イウム)-2-イル)ビニル)-2-シクロヘキセン-1-イリデン)エチリデン)-2,3-ジヒドロ-1H-インドール)
- 2-[2-(2-クロロ-3-{2-[1-(10-{2-[2-(2-クロロ-3-{2-[3,3-ジメチル-1-(4-スルホナトブチル)-3H-インドール-1-イウム-2-イル]エテニル}シクロヘキサ-2-エン-1-イリデン)エチリデン]-3,3-ジメチル-2,3-ジヒドロ-1H-インドール-1-イル}デシル)-3,3-ジメチル-2,3-ジヒドロ-1H-インドール-2-イリデン]エチリデン}シクロヘキサ-1-エン-1-イル)エテニル]-3,3-ジメチル-1-(4-スルホナトブチル)-3H-インドール-1-イウム
- 2-[2-(2-chloro-3-{2-[1-(10-{2-[2-(2-chloro-3-{2-[3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl]ethenyl}cyclohex-2-en-1-ylidene)ethylidene]-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl}decyl)-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl)ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium
- 1,1′-(Decane-1,10-diyl)bis(3,3-dimethyl-2-(2-(2-chloro-3-(2-((1-(4-sulfonatobutyl)-3,3-dimethyl-3H-indole-1-ium)-2-yl)vinyl)-2-cyclohexene-1-ylidene)ethylidene)-2,3-dihydro-1H-indole)
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