Chem
J-GLOBAL ID：200907097550005135
Nikkaji number：J2.413.907G
10,10′-(Dodecane-1,12-diyl)bis(2,4-dioxo-5-ethyl-2,3,4,10-tetrahydropyrimido[4,5-b]quinoxaline-5-ium)
10,10′-(ドデカン-1,12-ジイル)ビス(2,4-ジオキソ-5-エチル-2,3,4,10-テトラヒドロピリミド[4,5-b]キノキサリン-5-イウム)
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： C36H44N6[N+]2O4
Molecular formula furigana： C36-H44-N8-O4
Molecular weight： 652.799
InChI：
InChI=1S/C36H42N8O4/c1-3-41-25-19-13-15-21-27(25)43(31-29(41)33(45)39-35(47)37-31)23-17-11-9-7-5-6-8-10-12-18-24-44-28-22-16-14-20-26(28)42(4-2)30-32(44)38-36(48)40-34(30)46/h13-16,19-22H,3-12,17-18,23-24H2,1-2H3/p+2
InChI key：
LDAZNKAEHUBTCY-UHFFFAOYSA-P
SMILES：
CC[n+]1c2ccccc2n(CCCCCCCCCCCCn2c3ccccc3[n+](CC)c3c2nc(=O)[nH]c3=O)c2nc(=O)[nH]c(=O)c12
Systematic name (3)：
- 10,10′-(ドデカン-1,12-ジイル)ビス(2,4-ジオキソ-5-エチル-2,3,4,10-テトラヒドロピリミド[4,5-b]キノキサリン-5-イウム)
- 5-エチル-10-(12-{5-エチル-2,4-ジオキソ-2H,3H,4H,10H-ベンゾ[g]プテリジン-5-イウム-10-イル}ドデシル)-2,4-ジオキソ-2H,3H,4H,10H-ベンゾ[g]プテリジン-5-イウム
- 5-ethyl-10-(12-{5-ethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-5-ium-10-yl}dodecyl)-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-5-ium
- 10,10′-(Dodecane-1,12-diyl)bis(2,4-dioxo-5-ethyl-2,3,4,10-tetrahydropyrimido[4,5-b]quinoxaline-5-ium)
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