CAS RN: 110-44-1
CAS Name: (2E,4E)-hexa-2,4-dienoic acid
OPENEYE Name: (2E,4E)-hexa-2,4-dienoic acid
IUPAC Name: (2E,4E)-hexa-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-hexa-2,4-dienoic acid
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: C/C=C/C=C/C(=O)O
Structure:
CAS RN: 22500-92-1
CAS Name: (2E,4E)-hexa-2,4-dienoic acid
OPENEYE Name: (2E,4E)-hexa-2,4-dienoic acid
IUPAC Name: (2E,4E)-hexa-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-hexa-2,4-dienoic acid
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: C/C=C/C=C/C(=O)O
Structure:
CAS RN: 91751-55-2
CAS Name: (2E,4E)-hexa-2,4-dienoic acid
OPENEYE Name: (2E,4E)-hexa-2,4-dienoic acid
IUPAC Name: (2E,4E)-hexa-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-hexa-2,4-dienoic acid
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: C/C=C/C=C/C(=O)O
Structure:
CAS RN: 86953-79-9
CAS Name: 1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl pyrrolidine-1-carboxylate
IUPAC Name: tert-butyl pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C9H17NO2
MOLECULAR WEIGHT: 171.23678
SMILES: CC(C)(C)OC(=O)N1CCCC1
Structure:
CAS RN: 69610-40-8
CAS Name: (2S)-2-(hydroxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
IUPAC Name: tert-butyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C10H19NO3
MOLECULAR WEIGHT: 201.26276
SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1CO
Structure:
CAS RN: 6542-60-5
CAS Name: 2-cyclopropylacetonitrile
OPENEYE Name: 2-cyclopropylacetonitrile
IUPAC Name: 2-cyclopropylacetonitrile
SYSTEMATIC NAME: 2-cyclopropylethanenitrile
MOLECULAR FORMULA: C5H7N
MOLECULAR WEIGHT: 81.11578
SMILES: C1CC1CC#N
Structure:
CAS RN: 26260-02-6
CAS Name: 2-iodobenzaldehyde
OPENEYE Name: 2-iodobenzaldehyde
IUPAC Name: 2-iodobenzaldehyde
SYSTEMATIC NAME: 2-iodanylbenzaldehyde
MOLECULAR FORMULA: C7H5IO
MOLECULAR WEIGHT: 232.01847
SMILES: C1=CC=C(C(=C1)C=O)I
Structure:
CAS RN: 66223-39-0
CAS Name: [(4R)-4-thiazolidinyl]methanol
OPENEYE Name: [(4R)-thiazolidin-4-yl]methanol
IUPAC Name: [(4R)-1,3-thiazolidin-4-yl]methanol
SYSTEMATIC NAME: [(4R)-1,3-thiazolidin-4-yl]methanol
MOLECULAR FORMULA: C4H9NOS
MOLECULAR WEIGHT: 119.18536
SMILES: C1[C@H](NCS1)CO
Structure:
CAS RN: 52480-43-0
CAS Name: 4,5-dimethyl-2-furancarboxaldehyde
OPENEYE Name: 4,5-dimethylfuran-2-carbaldehyde
IUPAC Name: 4,5-dimethylfuran-2-carbaldehyde
SYSTEMATIC NAME: 4,5-dimethylfuran-2-carbaldehyde
MOLECULAR FORMULA: C7H8O2
MOLECULAR WEIGHT: 124.13722
SMILES: CC1=C(OC(=C1)C=O)C
Structure:
CAS RN: 43119-28-4
CAS Name: (3aR,6aS)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
OPENEYE Name: (3aR,6aS)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
IUPAC Name: (3aR,6aS)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
SYSTEMATIC NAME: (3aR,6aS)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
MOLECULAR FORMULA: C7H8O2
MOLECULAR WEIGHT: 124.13722
SMILES: C1C=C[C@@H]2[C@H]1OC(=O)C2
Structure:
CAS RN: 39244-10-5
CAS Name: (E)-3-(3-furanyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3-furyl)prop-2-enoic acid
IUPAC Name: (E)-3-(furan-3-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(furan-3-yl)prop-2-enoic acid
MOLECULAR FORMULA: C7H6O3
MOLECULAR WEIGHT: 138.12074
SMILES: C1=COC=C1/C=C/C(=O)O
Structure:
CAS RN: 15690-24-1
CAS Name: (E)-3-(2-furanyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2-furyl)prop-2-enoic acid
IUPAC Name: (E)-3-(furan-2-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(furan-2-yl)prop-2-enoic acid
MOLECULAR FORMULA: C7H6O3
MOLECULAR WEIGHT: 138.12074
SMILES: C1=COC(=C1)/C=C/C(=O)O
Structure:
CAS RN: 539-47-9
CAS Name: (E)-3-(2-furanyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2-furyl)prop-2-enoic acid
IUPAC Name: (E)-3-(furan-2-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(furan-2-yl)prop-2-enoic acid
MOLECULAR FORMULA: C7H6O3
MOLECULAR WEIGHT: 138.12074
SMILES: C1=COC(=C1)/C=C/C(=O)O
Structure:
CAS RN: 55317-02-7
CAS Name: 2-methoxy-1-(2,4,6-trihydroxyphenyl)ethanone
OPENEYE Name: 2-methoxy-1-(2,4,6-trihydroxyphenyl)ethanone
IUPAC Name: 2-methoxy-1-(2,4,6-trihydroxyphenyl)ethanone
SYSTEMATIC NAME: 2-methoxy-1-[2,4,6-tris(oxidanyl)phenyl]ethanone
MOLECULAR FORMULA: C9H10O5
MOLECULAR WEIGHT: 198.1727
SMILES: COCC(=O)C1=C(C=C(C=C1O)O)O
Structure:
CAS RN: 300853-66-1
CAS Name: 4,5-dihydroxybenzene-1,2-dicarbonitrile
OPENEYE Name: 4,5-dihydroxyphthalonitrile
IUPAC Name: 4,5-dihydroxybenzene-1,2-dicarbonitrile
SYSTEMATIC NAME: 4,5-bis(oxidanyl)benzene-1,2-dicarbonitrile
MOLECULAR FORMULA: C8H4N2O2
MOLECULAR WEIGHT: 160.12956
SMILES: C1=C(C(=CC(=C1O)O)C#N)C#N
Structure:
CAS RN: 35094-87-2
CAS Name: 2,4,5-trihydroxybenzaldehyde
OPENEYE Name: 2,4,5-trihydroxybenzaldehyde
IUPAC Name: 2,4,5-trihydroxybenzaldehyde
SYSTEMATIC NAME: 2,4,5-tris(oxidanyl)benzaldehyde
MOLECULAR FORMULA: C7H6O4
MOLECULAR WEIGHT: 154.12014
SMILES: C1=C(C(=CC(=C1O)O)O)C=O
Structure:
CAS RN: 3222-56-8
CAS Name: 2-methyl-3-pyridinecarboxylic acid
OPENEYE Name: 2-methylpyridine-3-carboxylic acid
IUPAC Name: 2-methylpyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-methylpyridine-3-carboxylic acid
MOLECULAR FORMULA: C7H7NO2
MOLECULAR WEIGHT: 137.13598
SMILES: CC1=C(C=CC=N1)C(=O)O
Structure:
CAS RN: 766-49-4
CAS Name: 1-ethynyl-2-fluorobenzene
OPENEYE Name: 1-ethynyl-2-fluoro-benzene
IUPAC Name: 1-ethynyl-2-fluorobenzene
SYSTEMATIC NAME: 1-ethynyl-2-fluoranyl-benzene
MOLECULAR FORMULA: C8H5F
MOLECULAR WEIGHT: 120.123703
SMILES: C#CC1=CC=CC=C1F
Structure:
CAS RN: 52721-69-4
CAS Name: 2-(2-fluorophenyl)ethanamine
OPENEYE Name: 2-(2-fluorophenyl)ethanamine
IUPAC Name: 2-(2-fluorophenyl)ethanamine
SYSTEMATIC NAME: 2-(2-fluorophenyl)ethanamine
MOLECULAR FORMULA: C8H10FN
MOLECULAR WEIGHT: 139.170103
SMILES: C1=CC=C(C(=C1)CCN)F
Structure:
CAS RN: 72856-73-6
CAS Name: 2-methoxy-4-(methylthio)benzoic acid
OPENEYE Name: 2-methoxy-4-methylsulfanyl-benzoic acid
IUPAC Name: 2-methoxy-4-methylsulfanylbenzoic acid
SYSTEMATIC NAME: 2-methoxy-4-methylsulfanyl-benzoic acid
MOLECULAR FORMULA: C9H10O3S
MOLECULAR WEIGHT: 198.2389
SMILES: COC1=C(C=CC(=C1)SC)C(=O)O
Structure:
CAS RN: 7326-19-4
CAS Name: (2R)-2-hydroxy-3-phenylpropanoic acid
OPENEYE Name: (2R)-2-hydroxy-3-phenyl-propanoic acid
IUPAC Name: (2R)-2-hydroxy-3-phenylpropanoic acid
SYSTEMATIC NAME: (2R)-2-oxidanyl-3-phenyl-propanoic acid
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: C1=CC=C(C=C1)C[C@H](C(=O)O)O
Structure:
CAS RN: 57780-75-3
CAS Name: 2-nitro-5-(propylthio)aniline
OPENEYE Name: 2-nitro-5-propylsulfanyl-aniline
IUPAC Name: 2-nitro-5-propylsulfanylaniline
SYSTEMATIC NAME: 2-nitro-5-propylsulfanyl-aniline
MOLECULAR FORMULA: C9H12N2O2S
MOLECULAR WEIGHT: 212.26878
SMILES: CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N
Structure:
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