Chem
J-GLOBAL ID：200907001150070828   Nikkaji number：J2.111.284D

2,2′-(Thiophene-2,5-diyl)bis[4-[[5-bromo-3,3-dimethyl-1-(2-carboxyethyl)-3H-indole-1-ium]-2-ylmethylene]3-oxylato-2-cyclobutene-1-one]

2,2′-(チオフェン-2,5-ジイル)ビス[4-[[5-ブロモ-3,3-ジメチル-1-(2-カルボキシエチル)-3H-インドール-1-イウム]-2-イルメチレン]3-オキシラト-2-シクロブテン-1-オン]
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： C40H32Br2[N+]2O6[O-]2S
Molecular formula furigana： C40-H32-BR2-N2-O8-S
Molecular weight： 860.570
InChI： InChI=1S/C40H32Br2N2O8S/c1-39(2)23-15-19(41)5-7-25(23)43(13-11-31(45)46)29(39)17-21-35(49)33(36(21)50)27-9-10-28(53-27)34-37(51)22(38(34)52)18-30-40(3,4)24-16-20(42)6-8-26(24)44(30)14-12-32(47)48/h5-10,15-18H,11-14H2,1-4H3,(H2-,45,46,47,48,49,50)
InChI key： JFQRLUSXEFCBDC-UHFFFAOYSA-N
SMILES： CC1(C)C(=[N+](CCC(=O)O)c2ccc(Br)cc12)/C=C\1/C(=C(C1=O)c1ccc(s1)C1=C([O-])/C(=C/C2=[N+](CCC(=O)O)c3ccc(Br)cc3C2(C)C)/C1=O)[O-]
Systematic name  (3)：
  • 2,2′-(チオフェン-2,5-ジイル)ビス[4-[[5-ブロモ-3,3-ジメチル-1-(2-カルボキシエチル)-3H-インドール-1-イウム]-2-イルメチレン]3-オキシラト-2-シクロブテン-1-オン]
  • 5-ブロモ-2-{[(1Z)-3-{5-[(3Z)-3-{[5-ブロモ-1-(2-カルボキシエチル)-3,3-ジメチル-3H-インドール-1-イウム-2-イル]メチリデン}-2-オキシド-4-オキソシクロブタ-1-エン-1-イル]チオフェン-2-イル}-2-オキシド-4-オキソシクロブタ-2-エン-1-イリデン]メチル}-1-(2-カルボキシエチル)-3,3-ジメチル-3H-インドール-1-イウム
  • 5-bromo-2-{[(1Z)-3-{5-[(3Z)-3-{[5-bromo-1-(2-carboxyethyl)-3,3-dimethyl-3H-indol-1-ium-2-yl]methylidene}-2-oxido-4-oxocyclobut-1-en-1-yl]thiophen-2-yl}-2-oxido-4-oxocyclobut-2-en-1-ylidene]methyl}-1-(2-carboxyethyl)-3,3-dimethyl-3H-indol-1-ium
Other name (1)：
  • 2,2′-(Thiophene-2,5-diyl)bis[4-[[5-bromo-3,3-dimethyl-1-(2-carboxyethyl)-3H-indole-1-ium]-2-ylmethylene]3-oxylato-2-cyclobutene-1-one]
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM