Chem
J-GLOBAL ID：201707009362468728   Nikkaji number：J3.611.846F

2-[[2,2,7,7,12,12,17,17-Octaethyl-21,22,23,24-tetrathiapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene-21-cation]-21-yl]-1,4-dimethoxy-1,3,4-trioxobutane-2-ide

1,4-ジメトキシ-2-{2,2,7,7,12,12,17,17-オクタエチル-21,22,23,24-テトラチアペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1(20),3,5,8,10,13,15,18-オクタエン-21-イウム-21-イル}-1,3,4-トリオキソブタン-2-イド
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： C41[C-]H54O5S3[S+]
Molecular formula furigana： C42-H54-O5-S4
Molecular weight： 767.130
InChI： InChI=1S/C42H54O5S4/c1-11-39(12-2)27-19-20-28(48-27)40(13-3,14-4)30-22-24-32(50-30)42(17-7,18-8)34-26-25-33(41(15-5,16-6)31-23-21-29(39)49-31)51(34)36(38(45)47-10)35(43)37(44)46-9/h19-26H,11-18H2,1-10H3
InChI key： PZSVRXPUOTWXSS-UHFFFAOYSA-N
SMILES： CCC1(CC)C2=CC=C([S+]2[C-](C(=O)OC)C(=O)C(=O)OC)C(CC)(CC)c2ccc(s2)C(CC)(CC)c2ccc(s2)C(CC)(CC)c2ccc1s2
Systematic name  (3)：
  • 2-[[2,2,7,7,12,12,17,17-オクタエチル-21,22,23,24-テトラチアペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1(20),3,5,8,10,13,15,18-オクタエン-21-カチオン]-21-イル]-1,4-ジメトキシ-1,3,4-トリオキソブタン-2-イド
  • 1,4-ジメトキシ-2-{2,2,7,7,12,12,17,17-オクタエチル-21,22,23,24-テトラチアペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1(20),3,5,8,10,13,15,18-オクタエン-21-イウム-21-イル}-1,3,4-トリオキソブタン-2-イド
  • 1,4-dimethoxy-2-{2,2,7,7,12,12,17,17-octaethyl-21,22,23,24-tetrathiapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaen-21-ium-21-yl}-1,3,4-trioxobutan-2-ide
Other name (1)：
  • 2-[[2,2,7,7,12,12,17,17-Octaethyl-21,22,23,24-tetrathiapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene-21-cation]-21-yl]-1,4-dimethoxy-1,3,4-trioxobutane-2-ide
Thsaurus map：
Thesaurus Map

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