Chem
J-GLOBAL ID：200907016442626298
Nikkaji number：J1.404.465E
5,5′-[(1,8-Anthracenediyl)bisethynylenebis[2,6-bis(methoxycarbonyl)-4,1-phenylene]bisethynylene]bis(isophthalic acid dimethyl) ester
5,5′-[(1,8-アントラセンジイル)ビスエチニレンビス[2,6-ビス(メトキシカルボニル)-4,1-フェニレン]ビスエチニレン]ビス(イソフタル酸ジメチル)
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
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
Molecular formula： C62H42O16
Molecular formula furigana： C62-H42-O16
Molecular weight： 1043.002
InChI：
InChI=1S/C62H42O16/c1-71-55(63)43-23-35(24-44(32-43)56(64)72-2)17-21-47-51(59(67)75-5)27-37(28-52(47)60(68)76-6)15-19-39-11-9-13-41-31-42-14-10-12-40(50(42)34-49(39)41)20-16-38-29-53(61(69)77-7)48(54(30-38)62(70)78-8)22-18-36-25-45(57(65)73-3)33-46(26-36)58(66)74-4/h9-14,23-34H,1-8H3
InChI key：
IRIVCCDCEYOLIF-UHFFFAOYSA-N
SMILES：
COC(=O)c1cc(cc(c1)C(=O)OC)C#Cc1c(cc(cc1C(=O)OC)C#Cc1cccc2cc3cccc(C#Cc4cc(C(=O)OC)c(C#Cc5cc(cc(c5)C(=O)OC)C(=O)OC)c(c4)C(=O)OC)c3cc12)C(=O)OC
Systematic name (3)：
- 5,5′-[(1,8-アントラセンジイル)ビスエチニレンビス[2,6-ビス(メトキシカルボニル)-4,1-フェニレン]ビスエチニレン]ビス(イソフタル酸ジメチル)
- 1,3-ジメチル 2-{2-[3,5-ビス(メトキシカルボニル)フェニル]エチニル}-5-(2-{8-[2-(4-{2-[3,5-ビス(メトキシカルボニル)フェニル]エチニル}-3,5-ビス(メトキシカルボニル)フェニル)エチニル]アントラセン-1-イル}エチニル)ベンゼン-1,3-ジカルボキシラート
- 1,3-dimethyl 2-{2-[3,5-bis(methoxycarbonyl)phenyl]ethynyl}-5-(2-{8-[2-(4-{2-[3,5-bis(methoxycarbonyl)phenyl]ethynyl}-3,5-bis(methoxycarbonyl)phenyl)ethynyl]anthracen-1-yl}ethynyl)benzene-1,3-dicarboxylate
- 5,5′-[(1,8-Anthracenediyl)bisethynylenebis[2,6-bis(methoxycarbonyl)-4,1-phenylene]bisethynylene]bis(isophthalic acid dimethyl) ester
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