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Carbonyl compounds
Description:
Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group.
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TyloxapolCas Number: 25301-02-4 Compound CID: 71388Formula: C17H28O3 Molecular Weight: 280.4IUPAC Name: formaldehyde;oxirane;4-(2,4,4-trimethylpentan-2-yl)phenolSMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O.C=O.C1CO1InChIKey: MDYZKJNTKZIUSK-UHFFFAOYSA-NInChI: InChI=1S/C14H22O.C2H4O.CH2O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-2-3-1;1-2/h6-9,15H,10H2,1-5H3;1-2H2;1H2 -
α-Oxo-2-furanacetic acidFormula: C6H4O4 Molecular Weight: 140.09IUPAC Name: 2-(furan-2-yl)-2-oxoacetic acidSMILES: C1=COC(=C1)C(=O)C(=O)OInChIKey: IXVPCJUAKDVYKX-UHFFFAOYSA-NInChI: InChI=1S/C6H4O4/c7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H,8,9)
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tert-Butyl 4-(4-acetylphenyl)-piperazine-1-carboxylateCas Number: 189763-86-8 Compound CID: 21136190IUPAC Name: tert-butyl 4-(4-acetylphenyl)piperazine-1-carboxylateSMILES: CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)CInChIKey: RNENNIIGKWIJDK-UHFFFAOYSA-NInChI: InChI=1S/C17H24N2O3/c1-13(20)14-5-7-15(8-6-14)18-9-11-19(12-10-18)16(21)22-17(2,3)4/h5-8H,9-12H2,1-4H3
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Tienilic AcidFormula: C13H8Cl2O4S Molecular Weight: 331.17IUPAC Name: 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetic acidSMILES: C1=CSC(=C1)C(=O)C2=C(C(=C(C=C2)OCC(=O)O)Cl)ClInChIKey: AGHANLSBXUWXTB-UHFFFAOYSA-NInChI: InChI=1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17)Synonyms: [2,3-Dichloro-4-(2-thienylcarbonyl)phenoxy]-acetic acid | Tienylic acid | Ticrynafen
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[2-(2-fluorophenyl)-2-oxoethyl]propanedinitrileIUPAC Name: 2-[2-(2-fluorophenyl)-2-oxoethyl]propanedinitrileSMILES: C1=CC=C(C(=C1)C(=O)CC(C#N)C#N)FInChIKey: NOUFLZSMHQHSHA-UHFFFAOYSA-NInChI: InChI=1S/C11H7FN2O/c12-10-4-2-1-3-9(10)11(15)5-8(6-13)7-14/h1-4,8H,5H2
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Zomepirac sodium saltCas Number: 64092-48-4 Compound CID: 16220118Formula: C15H13ClNO3Na Molecular Weight: 313.71IUPAC Name: sodium;2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetateSMILES: CC1=C(N(C(=C1)CC(=O)[O-])C)C(=O)C2=CC=C(C=C2)Cl.[Na+]InChIKey: SEEXPXUCHVGZGU-UHFFFAOYSA-MInChI: InChI=1S/C15H14ClNO3.Na/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10;/h3-7H,8H2,1-2H3,(H,18,19);/q;+1/p-1
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Methyl 4-acetyl-3-nitrobenzoateCas Number: 51885-81-5 Compound CID: 19047729Formula: C10H9NO5 Molecular Weight: 223.18IUPAC Name: methyl 4-acetyl-3-nitrobenzoateSMILES: CC(=O)C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]InChIKey: RWLGQQWVBIMMEG-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO5/c1-6(12)8-4-3-7(10(13)16-2)5-9(8)11(14)15/h3-5H,1-2H3
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Methyl 2-Acetoxy-5-AcetylbenzoateCas Number: 61414-18-4 Compound CID: 11139098IUPAC Name: methyl 5-acetyl-2-acetyloxybenzoateSMILES: CC(=O)C1=CC(=C(C=C1)OC(=O)C)C(=O)OCInChIKey: CYYCWWDFSBYNQW-UHFFFAOYSA-NInChI: InChI=1S/C12H12O5/c1-7(13)9-4-5-11(17-8(2)14)10(6-9)12(15)16-3/h4-6H,1-3H3
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Ethyl2-benzoylbutanoateIUPAC Name: ethyl 2-benzoylbutanoateSMILES: CCC(C(=O)C1=CC=CC=C1)C(=O)OCCInChIKey: NZRZNJONGRRTNF-UHFFFAOYSA-NInChI: InChI=1S/C13H16O3/c1-3-11(13(15)16-4-2)12(14)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
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Cyclopentyl(3，4-dichlorophenyl)methanoneCas Number: 898791-87-2 Compound CID: 24261642Formula: C12H12Cl2O Molecular Weight: 243.13IUPAC Name: cyclopentyl-(3,4-dichlorophenyl)methanoneSMILES: C1CCC(C1)C(=O)C2=CC(=C(C=C2)Cl)ClInChIKey: MUEMEOICNHKBDH-UHFFFAOYSA-NInChI: InChI=1S/C12H12Cl2O/c13-10-6-5-9(7-11(10)14)12(15)8-3-1-2-4-8/h5-8H,1-4H2
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7-Bromo-1，1，1-trifluoroheptan-2-oneCas Number: 647831-24-1 Compound CID: 71378842IUPAC Name: 7-bromo-1,1,1-trifluoroheptan-2-oneSMILES: C(CCC(=O)C(F)(F)F)CCBrInChIKey: MAIKVCCDZVUYAQ-UHFFFAOYSA-NInChI: InChI=1S/C7H10BrF3O/c8-5-3-1-2-4-6(12)7(9,10)11/h1-5H2
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BICYCLO[3.3.1]NONANE-2，6-DIONECas Number: 16473-11-3 Compound CID: 140084Formula: C9H12O2 Molecular Weight: 152.19IUPAC Name: bicyclo[3.3.1]nonane-2,6-dioneSMILES: C1CC(=O)C2CCC(=O)C1C2InChIKey: QWNPVTXLBMSEPN-UHFFFAOYSA-NInChI: InChI=1S/C9H12O2/c10-8-3-1-6-5-7(8)2-4-9(6)11/h6-7H,1-5H2
