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Fatty acid esters
Description:
Carboxylic ester derivatives of a fatty acid.
Ancestors:
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decyl oleateCas Number: 3687-46-5 Compound CID: 5363234Formula: C28H54O2 Molecular Weight: 422.73IUPAC Name: decyl (Z)-octadec-9-enoateSMILES: CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCCInChIKey: SASYSVUEVMOWPL-NXVVXOECSA-NInChI: InChI=1S/C28H54O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27-25-23-21-12-10-8-6-4-2/h15-16H,3-14,17-27H2,1-2H3/b16-15- -
Palmitoyl-L-carnitineCas Number: 2364-67-2IUPAC Name: (3R)-3-hexadecanoyloxy-4-(trimethylazaniumyl)butanoateSMILES: CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)CInChIKey: XOMRRQXKHMYMOC-OAQYLSRUSA-NInChI: InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1
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Ethyl 2-oxoheptanoateCas Number: 13088-50-1 Compound CID: 11745091IUPAC Name: ethyl 2-oxoheptanoateSMILES: CCCCCC(=O)C(=O)OCCInChIKey: FQBGVMOKNNQVLU-UHFFFAOYSA-NInChI: InChI=1S/C9H16O3/c1-3-5-6-7-8(10)9(11)12-4-2/h3-7H2,1-2H3
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Ethyl 2-hydroxy-3-phenylpropanoateCas Number: 15399-05-0 Compound CID: 6429708Formula: C11H14O3 Molecular Weight: 194.23IUPAC Name: ethyl 2-hydroxy-3-phenylpropanoateSMILES: CCOC(=O)C(CC1=CC=CC=C1)OInChIKey: HBOGUIFRIAXYNB-UHFFFAOYSA-NInChI: InChI=1S/C11H14O3/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
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Ethyl 3-(2-hydroxyphenyl)propanoateCas Number: 20921-04-4 Compound CID: 12263583Formula: C11H14O3 Molecular Weight: 194.23IUPAC Name: ethyl 3-(2-hydroxyphenyl)propanoateSMILES: CCOC(=O)CCC1=CC=CC=C1OInChIKey: HXMJMZSXBPHDKV-UHFFFAOYSA-NInChI: InChI=1S/C11H14O3/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-6,12H,2,7-8H2,1H3
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Dihexyl nonanedioateCas Number: 109-31-9 Compound CID: 7985Formula: C21H40O4 Molecular Weight: 356.5IUPAC Name: dihexyl nonanedioateSMILES: CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCInChIKey: MJOKHGMXPJXFTG-UHFFFAOYSA-NInChI: InChI=1S/C21H40O4/c1-3-5-7-14-18-24-20(22)16-12-10-9-11-13-17-21(23)25-19-15-8-6-4-2/h3-19H2,1-2H3
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2-Hydroxyethyl dodecanoateCas Number: 4219-48-1 Compound CID: 62699Formula: C14H28O3 Molecular Weight: 244.37IUPAC Name: 2-hydroxyethyl dodecanoateSMILES: CCCCCCCCCCCC(=O)OCCOInChIKey: CTXGTHVAWRBISV-UHFFFAOYSA-NInChI: InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-14(16)17-13-12-15/h15H,2-13H2,1H3
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2-Carbethoxy-3-(2-thienyl)propionic acidCas Number: 143468-96-6 Compound CID: 14952883Formula: C10H12O4S Molecular Weight: 228.27IUPAC Name: 3-ethoxy-3-oxo-2-(thiophen-2-ylmethyl)propanoic acidSMILES: CCOC(=O)C(CC1=CC=CS1)C(=O)OInChIKey: PMJNEQWWZRSFCE-UHFFFAOYSA-NInChI: InChI=1S/C10H12O4S/c1-2-14-10(13)8(9(11)12)6-7-4-3-5-15-7/h3-5,8H,2,6H2,1H3,(H,11,12)
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2,2,6,6-Tetramethylpiperidin-4-yl heptanoateCas Number: 849461-90-1 Compound CID: 11207937Formula: C16H31NO2 Molecular Weight: 269.42IUPAC Name: (2,2,6,6-tetramethylpiperidin-4-yl) heptanoateSMILES: CCCCCCC(=O)OC1CC(NC(C1)(C)C)(C)CInChIKey: PWWKJRFUJIFGGD-UHFFFAOYSA-NInChI: InChI=1S/C16H31NO2/c1-6-7-8-9-10-14(18)19-13-11-15(2,3)17-16(4,5)12-13/h13,17H,6-12H2,1-5H3Synonyms: nAChR-IN-1 | TMPH
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(S)-Butyl 2-HydroxybutanoateCas Number: 132513-51-0 Compound CID: 15986038IUPAC Name: butyl (2S)-2-hydroxybutanoateSMILES: CCCCOC(=O)C(CC)OInChIKey: YFFBWGUXPFAXRS-ZETCQYMHSA-NInChI: InChI=1S/C8H16O3/c1-3-5-6-11-8(10)7(9)4-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1
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(S)-(2，2-Dimethyl-1，3-Dioxolan-4-Yl)Methyl 3-(4-Hydroxyphenyl)PropanoateIUPAC Name: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-(4-hydroxyphenyl)propanoateSMILES: CC1(OCC(O1)COC(=O)CCC2=CC=C(C=C2)O)CInChIKey: TWMFOGUTFPLVQZ-CYBMUJFWSA-NInChI: InChI=1S/C15H20O5/c1-15(2)19-10-13(20-15)9-18-14(17)8-5-11-3-6-12(16)7-4-11/h3-4,6-7,13,16H,5,8-10H2,1-2H3/t13-/m1/s1
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tert-Butyl (chloromethyl) succinateCas Number: 432037-43-9 Compound CID: 18629482Formula: C9H15ClO4 Molecular Weight: 222.67IUPAC Name: 4-O-tert-butyl 1-O-(chloromethyl) butanedioateSMILES: CC(C)(C)OC(=O)CCC(=O)OCClInChIKey: ZEHMWPBRDVLBMH-UHFFFAOYSA-NInChI: InChI=1S/C9H15ClO4/c1-9(2,3)14-8(12)5-4-7(11)13-6-10/h4-6H2,1-3H3
