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Benzoic acid esters
Description:
Ester derivatives of benzoic acid.
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Metsulfuron-methylCas Number: 74223-64-6Formula: C14H15N5O6S Molecular Weight: 381.36IUPAC Name: methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoateSMILES: CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OCInChIKey: RSMUVYRMZCOLBH-UHFFFAOYSA-NInChI: InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21) -
tert-Butyl 3-ethynylbenzoateCas Number: 914943-91-2 Compound CID: 71743555Formula: C13H14O2 Molecular Weight: 202.25IUPAC Name: tert-butyl 3-ethynylbenzoateSMILES: CC(C)(C)OC(=O)C1=CC=CC(=C1)C#CInChIKey: SSDAUMHJIKPITN-UHFFFAOYSA-NInChI: InChI=1S/C13H14O2/c1-5-10-7-6-8-11(9-10)12(14)15-13(2,3)4/h1,6-9H,2-4H3
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Tridecyl benzoateCas Number: 29376-83-8 Compound CID: 9814973Formula: C20H32O2 Molecular Weight: 304.5IUPAC Name: tridecyl benzoateSMILES: CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1InChIKey: PHXPEXIJLNFIBR-UHFFFAOYSA-NInChI: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-22-20(21)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3
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Tri-O-benzoyl-D-glucalCas Number: 13322-90-2Formula: C27H22O7 Molecular Weight: 458.46SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C=CO2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4InChIKey: OZFFEFRJEYIEGH-SMIHKQSGSA-NInChI: show more
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Methyl 5-Bromo-4-Fluoro-2-MethylbenzoateCas Number: 1564624-36-7 Compound CID: 86277434IUPAC Name: methyl 5-bromo-4-fluoro-2-methylbenzoateSMILES: CC1=CC(=C(C=C1C(=O)OC)Br)FInChIKey: MNYTWTCGSPYQHC-UHFFFAOYSA-NInChI: InChI=1S/C9H8BrFO2/c1-5-3-8(11)7(10)4-6(5)9(12)13-2/h3-4H,1-2H3
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Methyl 5-bromo-4-fluoro-2-hydroxybenzoateCas Number: 4133-72-6 Compound CID: 67234801Formula: C8H6BrFO3 Molecular Weight: 249.03IUPAC Name: methyl 5-bromo-4-fluoro-2-hydroxybenzoateSMILES: COC(=O)C1=CC(=C(C=C1O)F)BrInChIKey: MCMGUPTVQMMNDL-UHFFFAOYSA-NInChI: InChI=1S/C8H6BrFO3/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3,11H,1H3
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Methyl 4-hydroxy-2-(trifluoromethyl)benzoateCas Number: 790695-49-7Formula: C9H7F3O3 Molecular Weight: 220.1453SMILES: COC(=O)C1=C(C=C(C=C1)O)C(F)(F)FInChIKey: OLSWKTCQCZAEOW-UHFFFAOYSA-NInChI: InChI=1S/C9H7F3O3/c1-15-8(14)6-3-2-5(13)4-7(6)9(10,11)12/h2-4,13H,1H3
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Methyl 4-bromo-2-formylbenzoateCas Number: 1260795-42-3 Compound CID: 53419674Formula: C9H7O3Br Molecular Weight: 243.05IUPAC Name: methyl 4-bromo-2-formylbenzoateSMILES: COC(=O)C1=C(C=C(C=C1)Br)C=OInChIKey: XXGNIICNQUKYLR-UHFFFAOYSA-NInChI: InChI=1S/C9H7BrO3/c1-13-9(12)8-3-2-7(10)4-6(8)5-11/h2-5H,1H3
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Methyl 4-bromo-3，5-difluorobenzoateCas Number: 1803565-64-1 Compound CID: 86775235Formula: C8H5BrF2O2 Molecular Weight: 251.02IUPAC Name: methyl 4-bromo-3,5-difluorobenzoateSMILES: COC(=O)C1=CC(=C(C(=C1)F)Br)FInChIKey: LJDAUJSNGVTBGT-UHFFFAOYSA-NInChI: InChI=1S/C8H5BrF2O2/c1-13-8(12)4-2-5(10)7(9)6(11)3-4/h2-3H,1H3
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Methyl 5-fluoro-2-(methylamino)benzoateCas Number: 924668-99-5 Compound CID: 16102229Formula: C9H10FNO2 Molecular Weight: 183.18IUPAC Name: methyl 5-fluoro-2-(methylamino)benzoateSMILES: CNC1=C(C=C(C=C1)F)C(=O)OCInChIKey: ACDZIHOCIOJCLI-UHFFFAOYSA-NInChI: InChI=1S/C9H10FNO2/c1-11-8-4-3-6(10)5-7(8)9(12)13-2/h3-5,11H,1-2H3
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Methyl 3-amino-4-formylbenzoateCas Number: 212322-17-3 Compound CID: 18412577IUPAC Name: methyl 3-amino-4-formylbenzoateSMILES: COC(=O)C1=CC(=C(C=C1)C=O)NInChIKey: XFULTVJWWNIPPO-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO3/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-5H,10H2,1H3
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Methyl 3-(trifluoromethoxy)benzoateCas Number: 148438-00-0 Compound CID: 519012Formula: C9H7F3O3 Molecular Weight: 220.15IUPAC Name: methyl 3-(trifluoromethoxy)benzoateSMILES: COC(=O)C1=CC(=CC=C1)OC(F)(F)FInChIKey: YWSQRIKZJLRGPT-UHFFFAOYSA-NInChI: InChI=1S/C9H7F3O3/c1-14-8(13)6-3-2-4-7(5-6)15-9(10,11)12/h2-5H,1H3
