Chem
J-GLOBAL ID：200907004261951385   Nikkaji number：J2.663.249H

2,3,7,8,12,13,17,18-Octakis[(3-methylbutyl)thio]-5,10,15,20-tetraaza-21H,23H-porphyrin

2,3,7,8,12,13,17,18-オクタキス[(3-メチルブチル)チオ]-5,10,15,20-テトラアザ-21H,23H-ポルフィリン
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： C56H90N8S8
Molecular formula furigana： C56-H90-N8-S8
Molecular weight： 1131.870
InChI： InChI=1S/C56H90N8S8/c1-33(2)17-25-65-41-42(66-26-18-34(3)4)50-57-49(41)61-51-43(67-27-19-35(5)6)44(68-28-20-36(7)8)53(58-51)63-55-47(71-31-23-39(13)14)48(72-32-24-40(15)16)56(60-55)64-54-46(70-30-22-38(11)12)45(52(59-54)62-50)69-29-21-37(9)10/h33-40H,17-32H2,1-16H3,(H2,57,58,59,60,61,62,63,64)
InChI key： AYJLSHJOJXMOCN-UHFFFAOYSA-N
SMILES： CC(C)CCSC1=C(SCCC(C)C)/C/2=N/c3[nH]c(/N=C/4\N=C(/N=c/5\[nH]/c(=N\C1=N2)/c(c5SCCC(C)C)SCCC(C)C)C(=C4SCCC(C)C)SCCC(C)C)c(c3SCCC(C)C)SCCC(C)C
Systematic name  (3)：
  • 2,3,7,8,12,13,17,18-オクタキス[(3-メチルブチル)チオ]-5,10,15,20-テトラアザ-21H,23H-ポルフィリン
  • 4,5,9,10,14,15,19,20-オクタキス[(3-メチルブチル)スルファニル]-2,7,12,17,21,22,23,24-オクタアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン
  • 4,5,9,10,14,15,19,20-octakis[(3-methylbutyl)sulfanyl]-2,7,12,17,21,22,23,24-octaazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
Other name (1)：
  • 2,3,7,8,12,13,17,18-Octakis[(3-methylbutyl)thio]-5,10,15,20-tetraaza-21H,23H-porphyrin
Thsaurus map：
Thesaurus Map

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