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MB05032Cas Number: 261365-11-1Formula: C11H15N2O4PS Molecular Weight: 302.29IUPAC Name: [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acidSMILES: CC(C)CC1=C(N=C(S1)N)C2=CC=C(O2)P(=O)(O)OInChIKey: XJMYIJPPDSZOPN-UHFFFAOYSA-NInChI: InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16)Synonyms: 5-(2-amino-5-isobutylthiazol-4-yl)furan-2-ylphosphonic acid | MB 05032 | BDBM50293594 | F84965 | Geranylacetone, tran...
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trans-3-Chloro-β-nitrostyreneCas Number: 37888-03-2Formula: C8H6ClNO2 Molecular Weight: 183.59IUPAC Name: 1-chloro-3-[(E)-2-nitroethenyl]benzeneSMILES: C1=CC(=CC(=C1)Cl)C=C[N+](=O)[O-]InChIKey: GXQRAWTWDNHGBS-SNAWJCMRSA-NInChI: InChI=1S/C8H6ClNO2/c9-8-3-1-2-7(6-8)4-5-10(11)12/h1-6H/b5-4+Synonyms: 1-chloro-3-(2-nitrovinyl)benzene | 1-chloro-3-[(E)-2-nitroethenyl]benzene | 3-(3-tert-butoxy-3-oxo-2-palmitamidopropy...
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CyclooctanoneCas Number: 502-49-8 EC Number: 207-940-2Formula: C8H14O Molecular Weight: 126.2IUPAC Name: cyclooctanoneSMILES: C1CCCC(=O)CCC1InChIKey: IIRFCWANHMSDCG-UHFFFAOYSA-NInChI: InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2Synonyms: BDBM50028793 | AKOS000119617 | BCP09447 | Cyclooctanone, 98% | CyclooCLanone | UNII-Z4GO9P8SUZ | BBL011399 | AMY3996 ...
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VanillinFormula: C8H8O3 Molecular Weight: 152.15IUPAC Name: 4-hydroxy-3-methoxybenzaldehydeSMILES: COC1=C(C=CC(=C1)C=O)OInChIKey: MWOOGOJBHIARFG-UHFFFAOYSA-NInChI: InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3Synonyms: 2-Methoxy-4-formylphenol | 3-Methoxy-4-hydroxybenzaldehyde | 4-Hydroxy-m-anisaldehyde | Lioxin | p-Vanillin | Vanilli...
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SalicylaldehydeCas Number: 90-02-8 EC Number: MFCD00003317 Compound CID: 6998Formula: C7H6O2 Molecular Weight: 122.12IUPAC Name: 2-hydroxybenzaldehydeSMILES: C1=CC=C(C(=C1)C=O)OInChIKey: SMQUZDBALVYZAC-UHFFFAOYSA-NInChI: InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9HSynonyms: InChI=1/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9 | NCGC00249108-01 | Salicylal | o-Hydroxybenzaldehyde | Salicylaldehyde, r...
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SalicylaldehydeCas Number: 90-02-8 EC Number: MFCD00003317 Compound CID: 6998Formula: C7H6O2 Molecular Weight: 122.12IUPAC Name: 2-hydroxybenzaldehydeSMILES: C1=CC=C(C(=C1)C=O)OInChIKey: SMQUZDBALVYZAC-UHFFFAOYSA-NInChI: InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9HSynonyms: InChI=1/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9 | NCGC00249108-01 | Salicylal | o-Hydroxybenzaldehyde | Salicylaldehyde, r...
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7-Methylindole-3-carboxaldehydeCas Number: 4771-50-0Formula: C10H9NO Molecular Weight: 159.18IUPAC Name: 7-methyl-1H-indole-3-carbaldehydeSMILES: CC1=C2C(=CC=C1)C(=CN2)C=OInChIKey: KTUFZHVVJBHGKZ-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO/c1-7-3-2-4-9-8(6-12)5-11-10(7)9/h2-6,11H,1H3Synonyms: 3-Carboxaldehyde, 7-methylindole- | AKOS005206800 | A15587 | EN300-1275516 | 7-Methylindole-3-aldehyde | 3-Formyl-7-m...
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CyclopentanoneCas Number: 120-92-3 EC Number: 204-435-9Formula: C5H8O Molecular Weight: 84.12IUPAC Name: cyclopentanoneSMILES: C1CCC(=O)C1InChIKey: BGTOWKSIORTVQH-UHFFFAOYSA-NInChI: InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2Synonyms: CYCLOPENTANONE|120-92-3|Adipic ketone|Ketocyclopentane|Ketopentamethylene|Dumasin|Adipinketon|cyclopentan-1-one|oxocy...
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CyclopentanoneCas Number: 120-92-3 EC Number: 204-435-9Formula: C5H8O Molecular Weight: 84.12IUPAC Name: cyclopentanoneSMILES: C1CCC(=O)C1InChIKey: BGTOWKSIORTVQH-UHFFFAOYSA-NInChI: InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2Synonyms: CAS-120-92-3 | Ketopentamethylene | DTXCID209154 | FT-0624259 | WLN: L5VTJ | HSDB 2822 | STR00465 | CYCLOPENTANONE [F...
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Tetraethylthiuram disulfide, Aldehyde dehydrogenase inhibitorCas Number: 97-77-8 EC Number: 202-607-8Formula: C10H20N2S4 Molecular Weight: 296.54IUPAC Name: diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioateSMILES: CCN(CC)C(=S)SSC(=S)N(CC)CCInChIKey: AUZONCFQVSMFAP-UHFFFAOYSA-NInChI: InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3Synonyms: TETD | Disulfiram | Contrapot | Ethyl tuads | Tetraethylthiuram disulfide | CHEBI:4659 | Ethyl Thiudad | Hoca | NSC 1...
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2,2′-Dithiobis(benzothiazole)Cas Number: 120-78-5 EC Number: 204-424-9Formula: C14H8N2S4 Molecular Weight: 332.49IUPAC Name: 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazoleSMILES: C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3InChIKey: AFZSMODLJJCVPP-UHFFFAOYSA-NInChI: InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8HSynonyms: Dibenzothiazolyl disulfide | Dwusiarczek dwubenzotiazylu | MBTS | Naugex MBT | NSC-2 | Benzothiazole, 2,2'-dithiobis-...
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4-(1-Pyrrolidino)benzaldehydeCas Number: 51980-54-2 EC Number: 257-570-0Formula: C11H13NO Molecular Weight: 175.23IUPAC Name: 4-pyrrolidin-1-ylbenzaldehydeSMILES: C1CCN(C1)C2=CC=C(C=C2)C=OInChIKey: DATXHLPRESKQJK-UHFFFAOYSA-NInChI: InChI=1S/C11H13NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h3-6,9H,1-2,7-8H2Synonyms: Z57127459 | 4-pyrrolidinobenzaldehyde | F0679 | FT-0616490 | SCHEMBL253732 | A828869 | DTXSID40199942 | PS-3693 | 4-(...
