Chem
J-GLOBAL ID：200907004557334446   Nikkaji number：J1.468.879J

4,4′,4′′,4′′′-(21H,23H-Porphyrin-5,10,15,20-tetryl)tetrakis[3,5-bis[(5-oxo-5-methoxypentyl)oxy]benzoic acid methyl] ester

4,4′,4′′,4′′′-(21H,23H-ポルフィリン-5,10,15,20-テトライル)テトラキス[3,5-ビス[(5-オキソ-5-メトキシペンチル)オキシ]安息香酸メチル]
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： C100H118N4O32
Molecular formula furigana： C100-H118-N4-O32
Molecular weight： 1888.040
InChI： InChI=1S/C100H118N4O32/c1-117-81(105)29-13-21-45-129-73-53-61(97(113)125-9)54-74(130-46-22-14-30-82(106)118-2)93(73)89-65-37-39-67(101-65)90(94-75(131-47-23-15-31-83(107)119-3)55-62(98(114)126-10)56-76(94)132-48-24-16-32-84(108)120-4)69-41-43-71(103-69)92(96-79(135-51-27-19-35-87(111)123-7)59-64(100(116)128-12)60-80(96)136-52-28-20-36-88(112)124-8)72-44-42-70(104-72)91(68-40-38-66(89)102-68)95-77(133-49-25-17-33-85(109)121-5)57-63(99(115)127-11)58-78(95)134-50-26-18-34-86(110)122-6/h37-44,53-60,101,104H,13-36,45-52H2,1-12H3/b89-65+,89-66?,90-67+,90-69?,91-68+,91-70?,92-71+,92-72?
InChI key： HQAXLWVXDZEXIV-SSGGTGATSA-N
SMILES： COC(=O)CCCCOc1cc(cc(OCCCCC(=O)OC)c1C1=c2ccc(=C(C3=NC(=C(c4ccc(C(=C5C=CC1=N5)c1c(OCCCCC(=O)OC)cc(cc1OCCCCC(=O)OC)C(=O)OC)[nH]4)c1c(OCCCCC(=O)OC)cc(cc1OCCCCC(=O)OC)C(=O)OC)C=C3)c1c(OCCCCC(=O)OC)cc(cc1OCCCCC(=O)OC)C(=O)OC)[nH]2)C(=O)OC
Systematic name  (3)：
  • 4,4′,4′′,4′′′-(21H,23H-ポルフィリン-5,10,15,20-テトライル)テトラキス[3,5-ビス[(5-オキソ-5-メトキシペンチル)オキシ]安息香酸メチル]
  • メチル 3,5-ビス[(5-メトキシ-5-オキソペンチル)オキシ]-4-[7,12,17-トリス({2,6-ビス[(5-メトキシ-5-オキソペンチル)オキシ]-4-(メトキシカルボニル)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(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]ベンゾアート
  • methyl 3,5-bis[(5-methoxy-5-oxopentyl)oxy]-4-[7,12,17-tris({2,6-bis[(5-methoxy-5-oxopentyl)oxy]-4-(methoxycarbonyl)phenyl})-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzoate
Other name (1)：
  • 4,4′,4′′,4′′′-(21H,23H-Porphyrin-5,10,15,20-tetryl)tetrakis[3,5-bis[(5-oxo-5-methoxypentyl)oxy]benzoic acid methyl] ester
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