Chem
J-GLOBAL ID：200907081118278712
Nikkaji number：J959.421C
2,8,12,17-Tetramethyl-7-(3-oxo-3-methoxypropyl)-18-ethyl-2,21,12,121-tetrahydro-22H,24H-dibenzo[b,l]porphyrin-21,22,121,122-tetracarboxylic acid tetramethyl ester
2,8,12,17-テトラメチル-7-(3-オキソ-3-メトキシプロピル)-18-エチル-2,21,12,121-テトラヒドロ-22H,24H-ジベンゾ[b,l]ポルフィリン-21,22,121,122-テトラカルボン酸テトラメチル
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： C46H48N4O10
Molecular formula furigana： C46-H48-N4-O10
Molecular weight： 816.908
InChI：
InChI=1S/C46H48N4O10/c1-11-24-22(2)30-18-34-28-15-12-26(41(52)57-7)39(43(54)59-9)45(28,4)36(49-34)20-31-23(3)25(14-17-38(51)56-6)32(48-31)19-35-29-16-13-27(42(53)58-8)40(44(55)60-10)46(29,5)37(50-35)21-33(24)47-30/h12-13,15-16,18-21,39-40,47-48H,11,14,17H2,1-10H3/b30-18-,31-20-,32-19-,33-21-,34-18-,35-19-,36-20-,37-21-
InChI key：
CSUCEEDDAOFKAZ-IPYDTTRBSA-N
SMILES：
CCc1c(C)c2/C=C/3\N=C(/C=c/4\[nH]/c(=C\C5=N/C(=C\c1[nH]2)/C1(C)C(C(=O)OC)C(=CC=C51)C(=O)OC)/c(CCC(=O)OC)c4C)C1(C)C(C(=O)OC)C(=CC=C31)C(=O)OC
Systematic name (3)：
- 2,8,12,17-テトラメチル-7-(3-オキソ-3-メトキシプロピル)-18-エチル-2,21,12,121-テトラヒドロ-22H,24H-ジベンゾ[b,l]ポルフィリン-21,22,121,122-テトラカルボン酸テトラメチル
- 10,11,24,25-テトラメチル 5-エチル-18-(3-メトキシ-3-オキソプロピル)-4,9,19,23-テトラメチル-29,30,31,32-テトラアザヘプタシクロ[20.6.1.13,6.18,15.117,20.09,14.023,28]ドトリアコンタ-1,3,5,7,11,13,15(31),16,18,20,22(29),25,27-トリデカエン-10,11,24,25-テトラカルボキシラート
- 10,11,24,25-tetramethyl 5-ethyl-18-(3-methoxy-3-oxopropyl)-4,9,19,23-tetramethyl-29,30,31,32-tetraazaheptacyclo[20.6.1.13,6.18,15.117,20.09,14.023,28]dotriaconta-1,3,5,7,11,13,15(31),16,18,20,22(29),25,27-tridecaene-10,11,24,25-tetracarboxylate
- 2,8,12,17-Tetramethyl-7-(3-oxo-3-methoxypropyl)-18-ethyl-2,21,12,121-tetrahydro-22H,24H-dibenzo[b,l]porphyrin-21,22,121,122-tetracarboxylic acid tetramethyl ester
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