Chem
J-GLOBAL ID：200907046308652874   Nikkaji number：J1.491.082D

3,3′-(1,3,6,8-Tetraoxo-1,2,3,6,7,8-hexahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)bis(benzenesulfonic acid)

3,3′-(1,3,6,8-テトラオキソ-1,2,3,6,7,8-ヘキサヒドロベンゾ[lmn][3,8]フェナントロリン-2,7-ジイル)ビス(ベンゼンスルホン酸)
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： C26H14N2O10S2
Molecular formula furigana： C26-H14-N2-O10-S2
Molecular weight： 578.520
InChI： InChI=1S/C26H14N2O10S2/c29-23-17-7-9-19-22-20(26(32)28(25(19)31)14-4-2-6-16(12-14)40(36,37)38)10-8-18(21(17)22)24(30)27(23)13-3-1-5-15(11-13)39(33,34)35/h1-12H,(H,33,34,35)(H,36,37,38)
InChI key： YJMXFEJMIONBSQ-UHFFFAOYSA-N
SMILES： OS(=O)(=O)c1cccc(c1)n1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(c1cccc(c1)S(=O)(=O)O)c3=O
Systematic name  (3)：
  • 3,3′-(1,3,6,8-テトラオキソ-1,2,3,6,7,8-ヘキサヒドロベンゾ[lmn][3,8]フェナントロリン-2,7-ジイル)ビス(ベンゼンスルホン酸)
  • 3-[5,7,12,14-テトラオキソ-13-(3-スルホフェニル)-6,13-ジアザテトラシクロ[6.6.2.04,16.011,15]ヘキサデカ-1,3,8,10,15-ペンタエン-6-イル]ベンゼン-1-スルホン酸
  • 3-[5,7,12,14-tetraoxo-13-(3-sulfophenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl]benzene-1-sulfonic acid
Other name (1)：
  • 3,3′-(1,3,6,8-Tetraoxo-1,2,3,6,7,8-hexahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)bis(benzenesulfonic acid)
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