Chem
J-GLOBAL ID：200907099345498296
Nikkaji number：J1.919.259H
(1β,7α,8β)-5,6,11,12-Tetraoxotricyclo[6.2.2.02,7]dodeca-3,9-diene-2α,9-diacrylic acid
(1β,7α,8β)-5,6,11,12-テトラオキソトリシクロ[6.2.2.02,7]ドデカ-3,9-ジエン-2α,9-ジアクリル酸
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： C18H12O8
Molecular formula furigana： C18-H12-O8
Molecular weight： 356.286
InChI：
InChI=1S/C18H12O8/c19-10-3-5-18(6-4-12(22)23)9-7-8(1-2-11(20)21)13(14(18)16(10)25)17(26)15(9)24/h1-7,9,13-14H,(H,20,21)(H,22,23)/t9-,13-,14+,18-/m0/s1
InChI key：
HEFVZFQJZUXRMI-VXTYOOSWSA-N
SMILES：
OC(=O)C=CC1=C[C@H]2C(=O)C(=O)[C@@H]1[C@@H]1C(=O)C(=O)C=C[C@]21C=CC(=O)O
Systematic name (3)：
- (1β,7α,8β)-5,6,11,12-テトラオキソトリシクロ[6.2.2.02,7]ドデカ-3,9-ジエン-2α,9-ジアクリル酸
- 3-[(1R,2S,7S,8R)-2-(2-カルボキシエタ-1-エン-1-イル)-5,6,11,12-テトラオキソトリシクロ[6.2.2.02,7]ドデカ-3,9-ジエン-9-イル]プロパ-2-エン酸
- 3-[(1R,2S,7S,8R)-2-(2-carboxyeth-1-en-1-yl)-5,6,11,12-tetraoxotricyclo[6.2.2.02,7]dodeca-3,9-dien-9-yl]prop-2-enoic acid
- (1β,7α,8β)-5,6,11,12-Tetraoxotricyclo[6.2.2.02,7]dodeca-3,9-diene-2α,9-diacrylic acid
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