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Fatty acid esters
Description:
Carboxylic ester derivatives of a fatty acid.
Ancestors:
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butyl (2E)-2-methylbut-2-enoateCas Number: 7785-66-2 Compound CID: 5352450Formula: C9H16O2 Molecular Weight: 156.22IUPAC Name: butyl (E)-2-methylbut-2-enoateSMILES: CCCCOC(=O)C(=CC)CInChIKey: RBGFLIOXJWFKKX-VMPITWQZSA-NInChI: InChI=1S/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5+ -
Sodium 2-(dodecanoyloxy)ethanesulfonateCas Number: 7381-01-3 Compound CID: 23668826Formula: C14H27NaO5S Molecular Weight: 330.42IUPAC Name: sodium;2-dodecanoyloxyethanesulfonateSMILES: CCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-].[Na+]InChIKey: BRMSVEGRHOZCAM-UHFFFAOYSA-MInChI: InChI=1S/C14H28O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-14(15)19-12-13-20(16,17)18;/h2-13H2,1H3,(H,16,17,18);/q;+1/p-1
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Monobutyl maleateCas Number: 925-21-3 Compound CID: 5356726Formula: C8H12O4 Molecular Weight: 172.18IUPAC Name: (Z)-4-butoxy-4-oxobut-2-enoic acidSMILES: CCCCOC(=O)C=CC(=O)OInChIKey: UTOVMEACOLCUCK-PLNGDYQASA-NInChI: InChI=1S/C8H12O4/c1-2-3-6-12-8(11)5-4-7(9)10/h4-5H,2-3,6H2,1H3,(H,9,10)/b5-4-
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Methyl4-methyl-2-pentenoateCas Number: 50652-78-3 Compound CID: 5362843Formula: C7H12O2 Molecular Weight: 128.171IUPAC Name: methyl (E)-4-methylpent-2-enoateSMILES: CC(C)C=CC(=O)OCInChIKey: YVOAQDZUARKSRL-SNAWJCMRSA-NInChI: InChI=1S/C7H12O2/c1-6(2)4-5-7(8)9-3/h4-6H,1-3H3/b5-4+
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Methyl 5-(Chlorosulfonyl)pentanoateCas Number: 1408058-14-9 Compound CID: 71432826Formula: C6H11ClO4S Molecular Weight: 214.67IUPAC Name: methyl 5-chlorosulfonylpentanoateSMILES: COC(=O)CCCCS(=O)(=O)ClInChIKey: IECLVGBBQICKPG-UHFFFAOYSA-NInChI: InChI=1S/C6H11ClO4S/c1-11-6(8)4-2-3-5-12(7,9)10/h2-5H2,1H3
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Methyl 4-hydroxybut-2-ynoateCas Number: 31555-05-2 Compound CID: 325086Formula: C5H6O3 Molecular Weight: 114.1IUPAC Name: methyl 4-hydroxybut-2-ynoateSMILES: COC(=O)C#CCOInChIKey: SYPLUFBJMSFMTN-UHFFFAOYSA-NInChI: InChI=1S/C5H6O3/c1-8-5(7)3-2-4-6/h6H,4H2,1H3
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Methyl 4-formylhexanoateCas Number: 66757-48-0 Compound CID: 10866598Formula: C8H14O3 Molecular Weight: 158.19IUPAC Name: methyl 4-formylhexanoateSMILES: CCC(CCC(=O)OC)C=OInChIKey: DHDSIIHECXDOOG-UHFFFAOYSA-NInChI: InChI=1S/C8H14O3/c1-3-7(6-9)4-5-8(10)11-2/h6-7H,3-5H2,1-2H3
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Methyl 3-Methyl-2-oxobutanoateCas Number: 3952-67-8 Compound CID: 12449855IUPAC Name: methyl 3-methyl-2-oxobutanoateSMILES: CC(C)C(=O)C(=O)OCInChIKey: NKWVBPZZQFOVCE-UHFFFAOYSA-NInChI: InChI=1S/C6H10O3/c1-4(2)5(7)6(8)9-3/h4H,1-3H3
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Methyl 3-(pyridin-4-yl)acrylateCas Number: 7340-34-3 Compound CID: 5357688Formula: C9H9NO2 Molecular Weight: 163.17IUPAC Name: methyl (E)-3-pyridin-4-ylprop-2-enoateSMILES: COC(=O)C=CC1=CC=NC=C1InChIKey: LDVKAIRVYWBGHI-NSCUHMNNSA-NInChI: InChI=1S/C9H9NO2/c1-12-9(11)3-2-8-4-6-10-7-5-8/h2-7H,1H3/b3-2+
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Methyl 3-(4-Ethynylphenyl)propanoateCas Number: 1068471-18-0 Compound CID: 25150216Formula: C12H12O2 Molecular Weight: 188.22IUPAC Name: methyl 3-(4-ethynylphenyl)propanoateSMILES: COC(=O)CCC1=CC=C(C=C1)C#CInChIKey: AEQLLXBBEQSUNW-UHFFFAOYSA-NInChI: InChI=1S/C12H12O2/c1-3-10-4-6-11(7-5-10)8-9-12(13)14-2/h1,4-7H,8-9H2,2H3
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Methyl 3-(3-pyridyl)propionateCas Number: 84199-98-4 Compound CID: 10329646Formula: C9H11NO2 Molecular Weight: 165.19IUPAC Name: methyl 3-pyridin-3-ylpropanoateSMILES: COC(=O)CCC1=CN=CC=C1InChIKey: FQRRQPZYIYAPAV-UHFFFAOYSA-NInChI: InChI=1S/C9H11NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h2-3,6-7H,4-5H2,1H3
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Methyl 2-Chloro-3-phenylpropionateCas Number: 18841-64-0 Compound CID: 12678200Formula: C10H11ClO2 Molecular Weight: 198.64IUPAC Name: methyl 2-chloro-3-phenylpropanoateSMILES: COC(=O)C(CC1=CC=CC=C1)ClInChIKey: DWKOUAHXOPJAHG-UHFFFAOYSA-NInChI: InChI=1S/C10H11ClO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
