Chem
J-GLOBAL ID：201507005428583418   Nikkaji number：J3.429.823H

3,13-Diethyl-2,7,12,17-tetramethyl-21H,23H-porphyrin-8,18-dipropanoic acid 3,6-dioxo-1,4-cyclohexadiene-1,4-diylbis(1,3-propanediyl) ester

3,13-ジエチル-2,7,12,17-テトラメチル-21H,23H-ポルフィリン-8,18-ジプロパン酸3,6-ジオキソ-1,4-シクロヘキサジエン-1,4-ジイルビス(1,3-プロパンジイル)
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： C46H50N4O6
Molecular formula furigana： C46-H50-N4-O6
Molecular weight： 754.928
InChI： InChI=1S/C46H50N4O6/c1-7-31-25(3)35-23-41-34-14-16-46(54)56-18-10-12-30-20-43(51)29(19-44(30)52)11-9-17-55-45(53)15-13-33-27(5)37(21-39(31)47-35)49-42(33)24-36-26(4)32(8-2)40(48-36)22-38(50-41)28(34)6/h19-24,47-48H,7-18H2,1-6H3/b35-23-,36-24-,37-21-,38-22+,39-21-,40-22-,41-23+,42-24-
InChI key： BSGLAHQQLNEKBB-HRQRPHKLSA-N
SMILES： CCc1c(C)c2/C=C\3/N=C4/C=c/5\[nH]/c(=C\C6=N/C(=C\c1[nH]2)/C(=C6CCC(=O)OCCCC1=CC(=O)C(=CC1=O)CCCOC(=O)CCC3=C4C)C)/c(C)c5CC
Systematic name  (3)：
  • 3,13-ジエチル-2,7,12,17-テトラメチル-21H,23H-ポルフィリン-8,18-ジプロパン酸3,6-ジオキソ-1,4-シクロヘキサジエン-1,4-ジイルビス(1,3-プロパンジイル)
  • 29,37-ジエチル-22,28,36,41-テトラメチル-6,17-ジオキサ-24,33,40,42-テトラアザヘプタシクロ[21.10.6.210,13.12,32.127,30.135,38.021,25]テトラテトラコンタ-1(33),2(41),10(44),12,21,23,25,27,29,31,34,36,38-トリデカエン-5,11,18,43-テトラオン
  • 29,37-diethyl-22,28,36,41-tetramethyl-6,17-dioxa-24,33,40,42-tetraazaheptacyclo[21.10.6.210,13.12,32.127,30.135,38.021,25]tetratetraconta-1(33),2(41),10(44),12,21,23,25,27,29,31,34,36,38-tridecaene-5,11,18,43-tetrone
Other name (1)：
  • 3,13-Diethyl-2,7,12,17-tetramethyl-21H,23H-porphyrin-8,18-dipropanoic acid 3,6-dioxo-1,4-cyclohexadiene-1,4-diylbis(1,3-propanediyl) ester
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