Chem
J-GLOBAL ID：200907002880046511   Nikkaji number：J1.265.633E

5a,6,11,11a-Tetrahydro-5a-(2-iodobenzyl)-11-methylene-11a-methoxynaphthacene-5,12-dione

5a,6,11,11a-テトラヒドロ-5a-(2-ヨードベンジル)-11-メチレン-11a-メトキシナフタセン-5,12-ジオン
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： C27H21IO3
Molecular formula furigana： C27-H21-I-O3
Molecular weight： 520.366
InChI： InChI=1S/C27H21IO3/c1-17-20-11-5-3-9-18(20)15-26(16-19-10-4-8-14-23(19)28)24(29)21-12-6-7-13-22(21)25(30)27(17,26)31-2/h3-14H,1,15-16H2,2H3
InChI key： GILJHRRUWQLIDW-UHFFFAOYSA-N
SMILES： COC12C(=C)c3ccccc3CC1(Cc1ccccc1I)C(=O)c1ccccc1C2=O
Systematic name  (3)：
  • 5a,6,11,11a-テトラヒドロ-5a-(2-ヨードベンジル)-11-メチレン-11a-メトキシナフタセン-5,12-ジオン
  • 11a-[(2-ヨードフェニル)メチル]-5a-メトキシ-6-メチリデン-5,5a,6,11,11a,12-ヘキサヒドロテトラセン-5,12-ジオン
  • 11a-[(2-iodophenyl)methyl]-5a-methoxy-6-methylidene-5,5a,6,11,11a,12-hexahydrotetracene-5,12-dione
Other name (1)：
  • 5a,6,11,11a-Tetrahydro-5a-(2-iodobenzyl)-11-methylene-11a-methoxynaphthacene-5,12-dione
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