Chem
J-GLOBAL ID:200907071809715773
Nikkaji number:J11.446D
Isoxepac
イソキセパック
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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:
C16 H12 O4
Molecular formula furigana:
C16-H12-O4
Molecular weight:
268.268
InChI:
InChI=1S/C16H12O4/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-7H,8-9H2,(H,17,18)
InChI key:
QFGMXJOBTNZHEL-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc2OCc3ccccc3C(=O)c2c1
Systematic name (5):
11-オキソ-6,11-ジヒドロジベンゾ[b,e]オキセピン-2-酢酸
6,11-ジヒドロ-11-オキソジベンゾ[b,e]オキセピン-2-酢酸
2-(11-オキソ-6,11-ジヒドロジベンゾ[b,e]オキセピン-2-イル)酢酸
2-{2-オキソ-9-オキサトリシクロ[9.4.0.03,8 ]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン-5-イル}酢酸
2-{2-oxo-9-oxatricyclo[9.4.0.03,8 ]pentadeca-1(15),3,5,7,11,13-hexaen-5-yl}acetic acid
Other name (7):
イソキセパク
HP-549
Isoxepac
P-720549
イソキセパック
6,11-Dihydro-11-oxodibenz[b,e]oxepine-2-acetic acid
2-(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid
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CAS registry number:
55453-87-7
Regulation number (2):
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