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Organooxygen compounds
Description:
Organic compounds containing a bond between a carbon atom and an oxygen atom.
Ancestors:
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1，3-Di(thiophen-2-yl)propane-1，3-dioneCas Number: 1138-14-3 Compound CID: 255158Formula: C11H8O2S2 Molecular Weight: 236.3IUPAC Name: 1,3-dithiophen-2-ylpropane-1,3-dioneSMILES: C1=CSC(=C1)C(=O)CC(=O)C2=CC=CS2InChIKey: RYEKDXOACFEXKG-UHFFFAOYSA-NInChI: InChI=1S/C11H8O2S2/c12-8(10-3-1-5-14-10)7-9(13)11-4-2-6-15-11/h1-6H,7H2 -
1，3-DIMETHYLCYCLOPENTANOLCas Number: 19550-46-0Formula: C7H14O Molecular Weight: 114.1855SMILES: CC1CCC(C1)(C)OInChIKey: LLIFEWZQIYEVKX-UHFFFAOYSA-NInChI: InChI=1S/C7H14O/c1-6-3-4-7(2,8)5-6/h6,8H,3-5H2,1-2H3
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1，5-Dioxaspiro[5.5]undecane，3，3-dimethyl-Cas Number: 707-29-9Formula: C11H20O2 Molecular Weight: 184.2753SMILES: CC1(COC2(CCCCC2)OC1)CInChIKey: QIFSGRPJUXQGMD-UHFFFAOYSA-NInChI: InChI=1S/C11H20O2/c1-10(2)8-12-11(13-9-10)6-4-3-5-7-11/h3-9H2,1-2H3
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1，4-bis(chloromethoxy)butaneCas Number: 13483-19-7 Compound CID: 99518Formula: C6H12Cl2O2 Molecular Weight: 187.06IUPAC Name: 1,4-bis(chloromethoxy)butaneSMILES: C(CCOCCl)COCClInChIKey: RRSXICBKOPODSP-UHFFFAOYSA-NInChI: InChI=1S/C6H12Cl2O2/c7-5-9-3-1-2-4-10-6-8/h1-6H2
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1，3-Propanedione， 1，3-di-4-pyridinyl-Cas Number: 42899-59-2 Compound CID: 11322099Formula: C13H10N2O2 Molecular Weight: 226.23IUPAC Name: 1,3-dipyridin-4-ylpropane-1,3-dioneSMILES: C1=CN=CC=C1C(=O)CC(=O)C2=CC=NC=C2InChIKey: XMRYQPHPFFLECV-UHFFFAOYSA-NInChI: InChI=1S/C13H10N2O2/c16-12(10-1-5-14-6-2-10)9-13(17)11-3-7-15-8-4-11/h1-8H,9H2
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1，4-DimethoxybutaneCas Number: 13179-96-9 Compound CID: 518727Formula: C6H14O2 Molecular Weight: 118.17IUPAC Name: 1,4-dimethoxybutaneSMILES: COCCCCOCInChIKey: HMCUNLUHTBHKTB-UHFFFAOYSA-NInChI: InChI=1S/C6H14O2/c1-7-5-3-4-6-8-2/h3-6H2,1-2H3
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2-(2，2-Dimethoxyethoxy)ethanamineCas Number: 1228258-40-9 Compound CID: 55285959Formula: C6H15NO3 Molecular Weight: 149.18IUPAC Name: 2-(2,2-dimethoxyethoxy)ethanamineSMILES: COC(COCCN)OCInChIKey: CBEGMMFTEUNTQO-UHFFFAOYSA-NInChI: InChI=1S/C6H15NO3/c1-8-6(9-2)5-10-4-3-7/h6H,3-5,7H2,1-2H3
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2-(2-octadecoxyethoxy)ethanolCas Number: 16057-43-5Formula: C22H46O3 Molecular Weight: 358.6SMILES: CCCCCCCCCCCCCCCCCCOCCOCCOInChIKey: ILCOCZBHMDEIAI-UHFFFAOYSA-NInChI: InChI=1S/C22H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h23H,2-22H2,1H3
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1，4-Bis(4-nitrophenyl)butane-1，4-dioneCas Number: 108791-66-8 Compound CID: 13762891Formula: C16H12N2O6 Molecular Weight: 328.28IUPAC Name: 1,4-bis(4-nitrophenyl)butane-1,4-dioneSMILES: C1=CC(=CC=C1C(=O)CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]InChIKey: ZTOYTFFEUUYRNR-UHFFFAOYSA-NInChI: InChI=1S/C16H12N2O6/c19-15(11-1-5-13(6-2-11)17(21)22)9-10-16(20)12-3-7-14(8-4-12)18(23)24/h1-8H,9-10H2
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1-(3，5-Bis(trifluoromethyl)phenyl)-2，2，2-trifluoroethanoneCas Number: 130336-17-3 Compound CID: 46222386Formula: C10H3F9O Molecular Weight: 310.11IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanoneSMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)C(F)(F)FInChIKey: AMSJGWJKJSLIEU-UHFFFAOYSA-NInChI: InChI=1S/C10H3F9O/c11-8(12,13)5-1-4(7(20)10(17,18)19)2-6(3-5)9(14,15)16/h1-3H
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1-(4-Hydroxy-3-methoxyphenyl)butan-1-oneCas Number: 64142-23-0 Compound CID: 14035098Formula: C11H14O3 Molecular Weight: 194.23IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)butan-1-oneSMILES: CCCC(=O)C1=CC(=C(C=C1)O)OCInChIKey: ATFSJFVUBBVFDB-UHFFFAOYSA-NInChI: InChI=1S/C11H14O3/c1-3-4-9(12)8-5-6-10(13)11(7-8)14-2/h5-7,13H,3-4H2,1-2H3
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1-(3，4-Dichlorophenyl)-2-methylpropan-1-oneCas Number: 875916-50-0 Compound CID: 18699250Formula: C10H10Cl2O Molecular Weight: 217.09IUPAC Name: 1-(3,4-dichlorophenyl)-2-methylpropan-1-oneSMILES: CC(C)C(=O)C1=CC(=C(C=C1)Cl)ClInChIKey: UGECHQYGTSAESA-UHFFFAOYSA-NInChI: InChI=1S/C10H10Cl2O/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6H,1-2H3
