Chem
J-GLOBAL ID:200907017208056751   Nikkaji number:J1.435.654A

3,8,13,18-Tetrakis(2,6-dichlorophenyl)-5,10,15,20,22,24-hexahydro-21H,23H-porphyrin-2,7,12,17-tetracarboxylic acid tetraethyl ester

3,8,13,18-テトラキス(2,6-ジクロロフェニル)-5,10,15,20,22,24-ヘキサヒドロ-21H,23H-ポルフィリン-2,7,12,17-テトラカルボン酸テトラエチル
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: C56H44Cl8N4O8
Molecular formula furigana: C56-H44-CL8-N4-O8
Molecular weight: 1184.590
InChI: InChI=1S/C56H44Cl8N4O8/c1-5-73-53(69)49-37-21-34-46(42-27(59)15-10-16-28(42)60)51(55(71)75-7-3)39(66-34)23-36-48(44-31(63)19-12-20-32(44)64)52(56(72)76-8-4)40(68-36)24-35-47(43-29(61)17-11-18-30(43)62)50(54(70)74-6-2)38(67-35)22-33(65-37)45(49)41-25(57)13-9-14-26(41)58/h9-20,65-68H,5-8,21-24H2,1-4H3
InChI key: NCXMQNCRFSAQIL-UHFFFAOYSA-N
SMILES: CCOC(=O)c1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1c1c(Cl)cccc1Cl)c(C(=O)OCC)c5c1c(Cl)cccc1Cl)c(C(=O)OCC)c4c1c(Cl)cccc1Cl)c(C(=O)OCC)c3c1c(Cl)cccc1Cl
Systematic name  (3):
  • 3,8,13,18-テトラキス(2,6-ジクロロフェニル)-5,10,15,20,22,24-ヘキサヒドロ-21H,23H-ポルフィリン-2,7,12,17-テトラカルボン酸テトラエチル
  • 4,9,14,19-テトラエチル 5,10,15,20-テトラキス(2,6-ジクロロフェニル)-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(20),3,5,8,10,13,15,18-オクタエン-4,9,14,19-テトラカルボキシラート
  • 4,9,14,19-tetraethyl 5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene-4,9,14,19-tetracarboxylate
Other name (1):
  • 3,8,13,18-Tetrakis(2,6-dichlorophenyl)-5,10,15,20,22,24-hexahydro-21H,23H-porphyrin-2,7,12,17-tetracarboxylic acid tetraethyl ester
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