Chem
J-GLOBAL ID：201507004163285251   Nikkaji number：J3.429.824F

4-[5,15,20-Tris(4-methylphenyl)-21H,23H-porphyrin-10-yl]benzoic acid 2-[(3,6-dioxo-1,4-cyclohexadienyl)acetoxy]ethyl ester

4-[5,15,20-トリス(4-メチルフェニル)-21H,23H-ポルフィリン-10-イル]安息香酸2-[(3,6-ジオキソ-1,4-シクロヘキサジエニル)アセトキシ]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： C58H44N4O6
Molecular formula furigana： C58-H44-N4-O6
Molecular weight： 893.012
InChI： InChI=1S/C58H44N4O6/c1-34-4-10-37(11-5-34)54-44-21-23-46(59-44)55(38-12-6-35(2)7-13-38)48-25-27-50(61-48)57(51-28-26-49(62-51)56(47-24-22-45(54)60-47)39-14-8-36(3)9-15-39)40-16-18-41(19-17-40)58(66)68-31-30-67-53(65)33-42-32-43(63)20-29-52(42)64/h4-29,32,59,62H,30-31,33H2,1-3H3/b54-44-,54-45-,55-46-,55-48-,56-47-,56-49-,57-50-,57-51-
InChI key： SGYLLPNMERUUAS-KBCCVRJKSA-N
SMILES： Cc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(C)cc1)[nH]4)/c1ccc(cc1)C(=O)OCCOC(=O)CC1=CC(=O)C=CC1=O)/C=C3)\c1ccc(C)cc1)/[nH]2
Systematic name  (3)：
  • 4-[5,15,20-トリス(4-メチルフェニル)-21H,23H-ポルフィリン-10-イル]安息香酸2-[(3,6-ジオキソ-1,4-シクロヘキサジエニル)アセトキシ]エチル
  • 2-{4-[7,12,17-トリス(4-メチルフェニル)-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-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-2-イル]ベンゾイルオキシ}エチル 2-(3,6-ジオキソシクロヘキサ-1,4-ジエン-1-イル)アセタート
  • 2-{4-[7,12,17-tris(4-methylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]benzoyloxy}ethyl 2-(3,6-dioxocyclohexa-1,4-dien-1-yl)acetate
Other name (1)：
  • 4-[5,15,20-Tris(4-methylphenyl)-21H,23H-porphyrin-10-yl]benzoic acid 2-[(3,6-dioxo-1,4-cyclohexadienyl)acetoxy]ethyl ester
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