Chem
J-GLOBAL ID：201307011532436820   Nikkaji number：J3.186.198E

5,15-Bis[3-[14-(12-mercaptododecyloxy)-1-oxo-3,6,9,12-tetraoxatetradecane-1-yloxy]propyl]-5,15-bis(4-fluorophenyl)-10,10,20,20-tetramethyl-5,10,15,20,22,24-hexahydro-21H,23H-porphyrin

5,15-ビス[3-[14-(12-メルカプトドデシルオキシ)-1-オキソ-3,6,9,12-テトラオキサテトラデカン-1-イルオキシ]プロピル]-5,15-ビス(4-フルオロフェニル)-10,10,20,20-テトラメチル-5,10,15,20,22,24-ヘキサヒドロ-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： C86H130F2N4O14S2
Molecular formula furigana： C86-H130-F2-N4-O14-S2
Molecular weight： 1546.120
InChI： InChI=1S/C86H130F2N4O14S2/c1-83(2)73-35-39-77(89-73)85(69-27-31-71(87)32-28-69,43-25-47-105-81(93)67-103-63-61-101-59-57-99-55-53-97-51-49-95-45-21-17-13-9-5-7-11-15-19-23-65-107)79-41-37-75(91-79)84(3,4)76-38-42-80(92-76)86(78-40-36-74(83)90-78,70-29-33-72(88)34-30-70)44-26-48-106-82(94)68-104-64-62-102-60-58-100-56-54-98-52-50-96-46-22-18-14-10-6-8-12-16-20-24-66-108/h27-42,89-92,107-108H,5-26,43-68H2,1-4H3
InChI key： LJPNVPAHLGKDCA-UHFFFAOYSA-N
SMILES： CC1(C)c2ccc([nH]2)C(CCCOC(=O)COCCOCCOCCOCCOCCCCCCCCCCCCS)(c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(CCCOC(=O)COCCOCCOCCOCCOCCCCCCCCCCCCS)(c2ccc1[nH]2)c1ccc(F)cc1)c1ccc(F)cc1
Systematic name  (3)：
  • 5,15-ビス[3-[14-(12-メルカプトドデシルオキシ)-1-オキソ-3,6,9,12-テトラオキサテトラデカン-1-イルオキシ]プロピル]-5,15-ビス(4-フルオロフェニル)-10,10,20,20-テトラメチル-5,10,15,20,22,24-ヘキサヒドロ-21H,23H-ポルフィリン
  • 3-[2,12-ビス(4-フルオロフェニル)-7,7,17,17-テトラメチル-12-{3-[(27-スルファニル-3,6,9,12,15-ペンタオキサヘプタコサノイル)オキシ]プロピル}-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-2-イル]プロピル 27-スルファニル-3,6,9,12,15-ペンタオキサヘプタコサノアート
  • 3-[2,12-bis(4-fluorophenyl)-7,7,17,17-tetramethyl-12-{3-[(27-sulfanyl-3,6,9,12,15-pentaoxaheptacosanoyl)oxy]propyl}-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaen-2-yl]propyl 27-sulfanyl-3,6,9,12,15-pentaoxaheptacosanoate
Other name (1)：
  • 5,15-Bis[3-[14-(12-mercaptododecyloxy)-1-oxo-3,6,9,12-tetraoxatetradecane-1-yloxy]propyl]-5,15-bis(4-fluorophenyl)-10,10,20,20-tetramethyl-5,10,15,20,22,24-hexahydro-21H,23H-porphyrin
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