Chem
J-GLOBAL ID：201707019052384660   Nikkaji number：J3.611.847D

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]-4-hydroxy-1-methoxy-1,3,4-trioxobutane-2-ide

1-カルボキシ-3-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-ジオキソプロパン-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： C40[C-]H52O5S3[S+]
Molecular formula furigana： C41-H52-O5-S4
Molecular weight： 753.100
InChI： InChI=1S/C41H52O5S4/c1-10-38(11-2)26-18-19-27(47-26)39(12-3,13-4)29-21-23-31(49-29)41(16-7,17-8)33-25-24-32(40(14-5,15-6)30-22-20-28(38)48-30)50(33)35(37(45)46-9)34(42)36(43)44/h18-25H,10-17H2,1-9H3,(H,43,44)
InChI key： RZNDMVDGYUBGSX-UHFFFAOYSA-N
SMILES： CCC1(CC)C2=CC=C([S+]2[C-](C(=O)OC)C(=O)C(=O)O)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]-4-ヒドロキシ-1-メトキシ-1,3,4-トリオキソブタン-2-イド
  • 1-カルボキシ-3-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-ジオキソプロパン-2-イド
  • 1-carboxy-3-methoxy-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-dioxopropan-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]-4-hydroxy-1-methoxy-1,3,4-trioxobutane-2-ide
Thsaurus map：
Thesaurus Map

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