Chem
J-GLOBAL ID：202007005052370493
Nikkaji number：J3.747.127E
ビス(1-ピレンカルボン酸)トリシクロ[8.2.2.24,7]ヘキサデカ-1(12),4,6,10,13,15-ヘキサエン-5,11-ジイル
ビス(1-ピレンカルボン酸)トリシクロ[8.2.2.24,7]ヘキサデカ-1(12),4,6,10,13,15-ヘキサエン-5,11-ジイル
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： C50H32O4
Molecular formula furigana： C50-H32-O4
Molecular weight： 696.802
InChI：
InChI=1S/C50H32O4/c51-49(41-25-21-37-17-15-33-3-1-5-35-19-23-39(41)47(37)45(33)35)53-43-27-29-7-11-31(43)13-9-30-8-12-32(14-10-29)44(28-30)54-50(52)42-26-22-38-18-16-34-4-2-6-36-20-24-40(42)48(38)46(34)36/h1-8,11-12,15-28H,9-10,13-14H2
InChI key：
CXOAYENPSLACPW-UHFFFAOYSA-N
SMILES：
O(c1cc2CCc3c(cc(CCc1cc2)cc3)OC(=O)c1ccc2ccc3cccc4ccc1c2c34)C(=O)c1ccc2ccc3cccc4ccc1c2c34
Systematic name (3)：
- 11-(ピレン-1-カルボニルオキシ)トリシクロ[8.2.2.24,7]ヘキサデカ-1(12),4(16),5,7(15),10,13-ヘキサエン-5-イルピレン-1-カルボキシラート
- 11-(pyrene-1-carbonyloxy)tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaen-5-yl pyrene-1-carboxylate
- ビス(1-ピレンカルボン酸)トリシクロ[8.2.2.24,7]ヘキサデカ-1(12),4,6,10,13,15-ヘキサエン-5,11-ジイル
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