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Phenol esters
Description:
Aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
Ancestors:
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Vanillin isobutyrateFormula: C12H14O4 Molecular Weight: 222.24IUPAC Name: (4-formyl-2-methoxyphenyl) 2-methylpropanoateSMILES: CC(C)C(=O)OC1=C(C=C(C=C1)C=O)OCInChIKey: BGKAKRUFBSTALK-UHFFFAOYSA-NInChI: InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3 -
Guaiacyl phenylacetateCas Number: 4112-89-4 Compound CID: 61331Formula: C6H5CH2CO2C6H4-2-(OCH3) Molecular Weight: 242.27IUPAC Name: (2-methoxyphenyl) 2-phenylacetateSMILES: COC1=CC=CC=C1OC(=O)CC2=CC=CC=C2InChIKey: KNVYLIIBQXVDKC-UHFFFAOYSA-NInChI: InChI=1S/C15H14O3/c1-17-13-9-5-6-10-14(13)18-15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
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2，6-dimethoxyphenyl acetateCas Number: 944-99-0Formula: C10H12O4 Molecular Weight: 196.20SMILES: CC(=O)OC1=C(C=CC=C1OC)OCInChIKey: CIIHIFFNYMLOAV-UHFFFAOYSA-NInChI: InChI=1S/C10H12O4/c1-7(11)14-10-8(12-2)5-4-6-9(10)13-3/h4-6H,1-3H3
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m-Acetoxy Benzoic AcidCas Number: 6304-89-8 Compound CID: 238669Formula: CH3CO2C6H4CO2H Molecular Weight: 180.16IUPAC Name: 3-acetyloxybenzoic acidSMILES: CC(=O)OC1=CC=CC(=C1)C(=O)OInChIKey: NGMYCWFGNSXLMP-UHFFFAOYSA-NInChI: InChI=1S/C9H8O4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H3,(H,11,12)Synonyms: 3-Acetoxybenzoic acid | Nsc43147 | Benzoic Acid | M-Acetoxy
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4-(benzyloxy)phenyl dodecanoateCas Number: 6638-98-8 Compound CID: 241248Formula: C25H34O3 Molecular Weight: 382.5IUPAC Name: (4-phenylmethoxyphenyl) dodecanoateSMILES: CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)OCC2=CC=CC=C2InChIKey: REQBVNBXTOTEPU-UHFFFAOYSA-NInChI: InChI=1S/C25H34O3/c1-2-3-4-5-6-7-8-9-13-16-25(26)28-24-19-17-23(18-20-24)27-21-22-14-11-10-12-15-22/h10-12,14-15,17-20H,2-9,13,16,21H2,1H3
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2-Propenoic acid， 4-(trans-4-propylcyclohexyl)phenyl esterCas Number: 168274-89-3Formula: C18H24O2 Molecular Weight: 272.382SMILES: CCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C=CInChIKey: QEVDSQAQCWMYKW-UHFFFAOYSA-NInChI: InChI=1S/C18H24O2/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)20-18(19)4-2/h4,10-15H,2-3,5-9H2,1H3
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3-Iodophenyl acetateCas Number: 42861-71-2 Compound CID: 13101769Formula: C8H7IO2 Molecular Weight: 262.04IUPAC Name: (3-iodophenyl) acetateSMILES: CC(=O)OC1=CC(=CC=C1)IInChIKey: LWGMUQGQHHKINA-UHFFFAOYSA-NInChI: InChI=1S/C8H7IO2/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3
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3-(Propionyloxy)benzoic acidCas Number: 51988-36-4 Compound CID: 18762077Formula: C10H10O4 Molecular Weight: 194.18IUPAC Name: 3-propanoyloxybenzoic acidSMILES: CCC(=O)OC1=CC=CC(=C1)C(=O)OInChIKey: KDSHSYUJJSWWNU-UHFFFAOYSA-NInChI: InChI=1S/C10H10O4/c1-2-9(11)14-8-5-3-4-7(6-8)10(12)13/h3-6H,2H2,1H3,(H,12,13)
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2-Bromophenyl acetateFormula: C8H7BrO2 Molecular Weight: 215.04IUPAC Name: (2-bromophenyl) acetateSMILES: CC(=O)OC1=CC=CC=C1BrInChIKey: BEHBHYYPTOHUHX-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrO2/c1-6(10)11-8-5-3-2-4-7(8)9/h2-5H,1H3
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Trans-4-cyano-3-fluorophenyl 4-ethylcyclohexanecarboxylateCas Number: 90525-56-7 Compound CID: 50999313Formula: C16H18FNO2 Molecular Weight: 275.32IUPAC Name: (4-cyano-3-fluorophenyl) 4-ethylcyclohexane-1-carboxylateSMILES: CCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#N)FInChIKey: XKPXEPFCVKWEML-UHFFFAOYSA-NInChI: InChI=1S/C16H18FNO2/c1-2-11-3-5-12(6-4-11)16(19)20-14-8-7-13(10-18)15(17)9-14/h7-9,11-12H,2-6H2,1H3
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BCX 1470Cas Number: 217099-43-9 Compound CID: 9822205Formula: C14H10N2O2S2 Molecular Weight: 302.4IUPAC Name: (2-carbamimidoyl-1-benzothiophen-6-yl) thiophene-2-carboxylateSMILES: C1=CSC(=C1)C(=O)OC2=CC3=C(C=C2)C=C(S3)C(=N)NInChIKey: OTGQTQBPQCRNRG-UHFFFAOYSA-NInChI: InChI=1S/C14H10N2O2S2/c15-13(16)12-6-8-3-4-9(7-11(8)20-12)18-14(17)10-2-1-5-19-10/h1-7H,(H3,15,16)
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4-Bromo-2，6-Dimethylphenyl AcetateCas Number: 60041-68-1 Compound CID: 9078973IUPAC Name: (4-bromo-2,6-dimethylphenyl) acetateSMILES: CC1=CC(=CC(=C1OC(=O)C)C)BrInChIKey: ACPQEWQSYPPLOS-UHFFFAOYSA-NInChI: InChI=1S/C10H11BrO2/c1-6-4-9(11)5-7(2)10(6)13-8(3)12/h4-5H,1-3H3
