Chem
J-GLOBAL ID：201007075045646301
Nikkaji number：J2.796.624A
Δ9,9′-Bi[10-(3,5-di-tert-butyl-4-oxo-2,5-cyclohexadienylidene)-9,10-dihydroanthracene]
Δ9,9′-ビ[10-(3,5-ジ-tert-ブチル-4-オキソ-2,5-シクロヘキサジエニリデン)-9,10-ジヒドロアントラセン]
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： C56H56O2
Molecular formula furigana： C56-H56-O2
Molecular weight： 761.062
InChI：
InChI=1S/C56H56O2/c1-53(2,3)43-29-33(30-44(51(43)57)54(4,5)6)47-35-21-13-17-25-39(35)49(40-26-18-14-22-36(40)47)50-41-27-19-15-23-37(41)48(38-24-16-20-28-42(38)50)34-31-45(55(7,8)9)52(58)46(32-34)56(10,11)12/h13-32H,1-12H3
InChI key：
KOQXNDRUXGVGTJ-UHFFFAOYSA-N
SMILES：
CC(C)(C)C1=C/C(=c/2\c3ccccc3/c(=c/3\c4ccccc4/c(=C/4\C=C(C(=O)C(=C4)C(C)(C)C)C(C)(C)C)/c4ccccc34)/c3ccccc23)/C=C(C1=O)C(C)(C)C
Systematic name (3)：
- Δ9,9′-ビ[10-(3,5-ジ-tert-ブチル-4-オキソ-2,5-シクロヘキサジエニリデン)-9,10-ジヒドロアントラセン]
- 2,6-ジ-tert-ブチル-4-[10'-(3,5-ジ-tert-ブチル-4-オキソシクロヘキサ-2,5-ジエン-1-イリデン)-10H,10'H-[9,9'-ビアントラセニリデン]-10-イリデン]シクロヘキサ-2,5-ジエン-1-オン
- 2,6-di-tert-butyl-4-[10'-(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-10H,10'H-[9,9'-bianthracenyliden]-10-ylidene]cyclohexa-2,5-dien-1-one
- Δ9,9′-Bi[10-(3,5-di-tert-butyl-4-oxo-2,5-cyclohexadienylidene)-9,10-dihydroanthracene]
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