Chem
J-GLOBAL ID：200907079798359610
Nikkaji number：J648.074H
TOTO
TOTO
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： C49H58N2[N+]4S2
Molecular formula furigana： C49-H58-N6-S2
Molecular weight： 795.160
InChI：
InChI=1S/C49H58N6S2/c1-50-44-22-11-13-24-46(44)56-48(50)36-38-26-30-52(42-20-9-7-18-40(38)42)28-15-32-54(3,4)34-17-35-55(5,6)33-16-29-53-31-27-39(41-19-8-10-21-43(41)53)37-49-51(2)45-23-12-14-25-47(45)57-49/h7-14,18-27,30-31,36-37H,15-17,28-29,32-35H2,1-6H3/q+4
InChI key：
RUIOCPBCVXVVMB-UHFFFAOYSA-N
SMILES：
Cn1c(=Cc2cc[n+](CCC[N+](C)(C)CCC[N+](C)(C)CCC[n+]3ccc(C=c4sc5ccccc5n4C)c4ccccc34)c3ccccc23)sc2ccccc12
Systematic name (5)：
- 1,1′-(4,4,8,8-テトラメチル-4,8-ジアゾニアウンデカン-1,11-ジイル)ビス[4-[(3-メチル-2,3-ジヒドロベンゾチアゾール)-2-イリデンメチル]キノリニウム]
- 1,1′-[トリメチレンビス(ジメチルイミニオ-1,3-プロパンジイル)]ビス[4-[(3-メチル-2,3-ジヒドロベンゾチアゾール)-2-イリデンメチル]キノリニウム]
- 1,1′-[トリメチレンビス(ジメチルイミニオトリメチレン)]ビス[4-[3-メチルベンゾチアゾール-2(3H)-イリデンメチル]キノリニウム]
- 1-[3-({3-[ジメチル(3-{4-[(3-メチル-2,3-ジヒドロ-1,3-ベンゾチアゾール-2-イリデン)メチル]キノリン-1-イウム-1-イル}プロピル)アザニウミル]プロピル}ジメチルアザニウミル)プロピル]-4-[(3-メチル-2,3-ジヒドロ-1,3-ベンゾチアゾール-2-イリデン)メチル]キノリン-1-イウム
- 1-[3-({3-[dimethyl(3-{4-[(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl}propyl)azaniumyl]propyl}dimethylazaniumyl)propyl]-4-[(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium
- TOTO
- 1,1′-(4,4,8,8-Tetramethyl-4,8-diazoniaundecane-1,11-diyl)bis[4-[(3-methyl-2,3-dihydrobenzothiazol)-2-ylidenemethyl]quinolinium]
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