Chem
J-GLOBAL ID:201107094762357600
Nikkaji number:J2.960.531I
5,10,15,20-Tetrakis[4-(5-acetoxypentyloxy)phenyl]-21H,23H-porphyrin
5,10,15,20-テトラキス[4-(5-アセトキシペンチルオキシ)フェニル]-21H,23H-ポルフィリン
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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:
C72 H78 N4 O12
Molecular formula furigana:
C72-H78-N4-O12
Molecular weight:
1191.432
InChI:
InChI=1S/C72H78N4O12/c1-49(77)81-41-9-5-13-45-85-57-25-17-53(18-26-57)69-61-33-35-63(73-61)70(54-19-27-58(28-20-54)86-46-14-6-10-42-82-50(2)78)65-37-39-67(75-65)72(56-23-31-60(32-24-56)88-48-16-8-12-44-84-52(4)80)68-40-38-66(76-68)71(64-36-34-62(69)74-64)55-21-29-59(30-22-55)87-47-15-7-11-43-83-51(3)79/h17-40,73,76H,5-16,41-48H2,1-4H3/b69-61-,69-62-,70-63-,70-65-,71-64-,71-66-,72-67-,72-68-
InChI key:
MDMNJPCFKRPELM-CIILXYKUSA-N
SMILES:
CC(=O)OCCCCCOc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(OCCCCCOC(=O)C)cc1)[nH]4)/c1ccc(OCCCCCOC(=O)C)cc1)/C=C3)\c1ccc(OCCCCCOC(=O)C)cc1)/[nH]2
Systematic name (3):
5,10,15,20-テトラキス[4-(5-アセトキシペンチルオキシ)フェニル]-21H,23H-ポルフィリン
5-{4-[7,12,17-トリス(4-{[5-(アセチルオキシ)ペンチル]オキシ}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]フェノキシ}ペンチル アセタート
5-{4-[7,12,17-tris(4-{[5-(acetyloxy)pentyl]oxy}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]phenoxy}pentyl acetate
Other name (1):
5,10,15,20-Tetrakis[4-(5-acetoxypentyloxy)phenyl]-21H,23H-porphyrin
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