Chem
J-GLOBAL ID：200907000522744794
Nikkaji number：J2.681.063I
4,4′,4′′,4′′′-[21,22,23,24-Tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosane-1,3,5,7,9,11(23),12,14,16,18(21)-decaene-2,7,12,17-tetrayl]tetra(benzenesulfonic acid)
4-[7,12,17-トリス(4-スルホフェニル)-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),6,8,10,12,14,16(22),17,19-デカエン-2-イル]ベンゼン-1-スルホン酸
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： C44H32N4O12S4
Molecular formula furigana： C44-H32-N4-O12-S4
Molecular weight： 937.000
InChI：
InChI=1S/C44H32N4O12S4/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57/h1-21,23,46-47H,22,24H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChI key：
LQHUXAIFNFNUQV-LWQDQPMZSA-N
SMILES：
OS(=O)(=O)c1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/CCC1=N5)/c1ccc(cc1)S(=O)(=O)O)[nH]4)/c1ccc(cc1)S(=O)(=O)O)/C=C3)\c1ccc(cc1)S(=O)(=O)O)/[nH]2
Systematic name (3)：
- 4,4′,4′′,4′′′-[21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサン-1,3,5,7,9,11(23),12,14,16,18(21)-デカエン-2,7,12,17-テトライル]テトラ(ベンゼンスルホン酸)
- 4-[7,12,17-トリス(4-スルホフェニル)-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),6,8,10,12,14,16(22),17,19-デカエン-2-イル]ベンゼン-1-スルホン酸
- 4-[7,12,17-tris(4-sulfophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),6,8,10,12,14,16(22),17,19-decaen-2-yl]benzene-1-sulfonic acid
- 4,4′,4′′,4′′′-[21,22,23,24-Tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosane-1,3,5,7,9,11(23),12,14,16,18(21)-decaene-2,7,12,17-tetrayl]tetra(benzenesulfonic acid)
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