Product OPENEYE NAME: benzofuran-2-carboxylic acid
CAS Name: 2-benzofurancarboxylic acid
IUPAC NAME: 1-benzofuran-2-carboxylic acid
SYSTEMATIC NAME: 1-benzofuran-2-carboxylic acid
MOLECULAR FORMULA: C9H6O3
MOLECULAR WEIGHT: 162.14214
SMILES: C1=CC=C2C(=C1)C=C(O2)C(=O)O
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Product OPENEYE NAME: 4-methylbenzene-1,2-diamine
CAS Name: 4-methylbenzene-1,2-diamine
IUPAC NAME: 4-methylbenzene-1,2-diamine
SYSTEMATIC NAME: 4-methylbenzene-1,2-diamine
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: CC1=CC(=C(C=C1)N)N
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Product OPENEYE NAME: 4-methylbenzene-1,3-diol
CAS Name: 4-methylbenzene-1,3-diol
IUPAC NAME: 4-methylbenzene-1,3-diol
SYSTEMATIC NAME: 4-methylbenzene-1,3-diol
MOLECULAR FORMULA: C7H8O2
MOLECULAR WEIGHT: 124.13722
SMILES: CC1=C(C=C(C=C1)O)O
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Product OPENEYE NAME: 4-methylbenzene-1,2-dithiol
CAS Name: 4-methylbenzene-1,2-dithiol
IUPAC NAME: 4-methylbenzene-1,2-dithiol
SYSTEMATIC NAME: 4-methylbenzene-1,2-dithiol
MOLECULAR FORMULA: C7H8S2
MOLECULAR WEIGHT: 156.26842
SMILES: CC1=CC(=C(C=C1)S)S
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Product OPENEYE NAME: 2,4,5-trimethylphenol
CAS Name: 2,4,5-trimethylphenol
IUPAC NAME: 2,4,5-trimethylphenol
SYSTEMATIC NAME: 2,4,5-trimethylphenol
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: CC1=CC(=C(C=C1C)O)C
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Product OPENEYE NAME: 2-methylbut-2-enal
CAS Name: 2-methyl-2-butenal
IUPAC NAME: 2-methylbut-2-enal
SYSTEMATIC NAME: 2-methylbut-2-enal
MOLECULAR FORMULA: C5H8O
MOLECULAR WEIGHT: 84.11642
SMILES: CC=C(C)C=O
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Product OPENEYE NAME: 2-chloropropane-1,3-diol
CAS Name: 2-chloropropane-1,3-diol
IUPAC NAME: 2-chloropropane-1,3-diol
SYSTEMATIC NAME: 2-chloranylpropane-1,3-diol
MOLECULAR FORMULA: C3H7ClO2
MOLECULAR WEIGHT: 110.53948
SMILES: C(C(CO)Cl)O
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Product OPENEYE NAME: but-3-ene-1,2-diol
CAS Name: 3-butene-1,2-diol
IUPAC NAME: but-3-ene-1,2-diol
SYSTEMATIC NAME: but-3-ene-1,2-diol
MOLECULAR FORMULA: C4H8O2
MOLECULAR WEIGHT: 88.10512
SMILES: C=CC(CO)O
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Product OPENEYE NAME: 2-oxopropanedial
CAS Name: 2-oxopropanedial
IUPAC NAME: 2-oxopropanedial
SYSTEMATIC NAME: 2-oxidanylidenepropanedial
MOLECULAR FORMULA: C3H2O3
MOLECULAR WEIGHT: 86.04618
SMILES: C(=O)C(=O)C=O
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Product OPENEYE NAME: disodium carbonate
CAS Name: disodium carbonate
IUPAC NAME: disodium carbonate
SYSTEMATIC NAME: disodium carbonate
MOLECULAR FORMULA: CNa2O3
MOLECULAR WEIGHT: 105.98844
SMILES: C(=O)([O-])[O-].[Na+].[Na+]
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Product OPENEYE NAME: 2H-furan-5-one
CAS Name: 2H-furan-5-one
IUPAC NAME: 2H-furan-5-one
SYSTEMATIC NAME: 2H-furan-5-one
MOLECULAR FORMULA: C4H4O2
MOLECULAR WEIGHT: 84.07336
SMILES: C1C=CC(=O)O1
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Product OPENEYE NAME: 2-methyl-1,3-dioxolane
CAS Name: 2-methyl-1,3-dioxolane
IUPAC NAME: 2-methyl-1,3-dioxolane
SYSTEMATIC NAME: 2-methyl-1,3-dioxolane
MOLECULAR FORMULA: C4H8O2
MOLECULAR WEIGHT: 88.10512
SMILES: CC1OCCO1
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Product OPENEYE NAME: norbornan-2-one
CAS Name: 3-bicyclo[2.2.1]heptanone
IUPAC NAME: bicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C7H10O
MOLECULAR WEIGHT: 110.1537
SMILES: C1CC2CC1CC2=O
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Product OPENEYE NAME: 2,4-ditert-butyl-5-methyl-phenol
CAS Name: 2,4-ditert-butyl-5-methylphenol
IUPAC NAME: 2,4-ditert-butyl-5-methylphenol
SYSTEMATIC NAME: 2,4-ditert-butyl-5-methyl-phenol
MOLECULAR FORMULA: C15H24O
MOLECULAR WEIGHT: 220.35046
SMILES: CC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)O
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Product OPENEYE NAME: (3S,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydropyran-3,4,5-triol
CAS Name: (3S,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
IUPAC NAME: (3S,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
SYSTEMATIC NAME: (3S,6S)-2-(hydroxymethyl)-6-(4-oxidanylphenoxy)oxane-3,4,5-triol
MOLECULAR FORMULA: C12H16O7
MOLECULAR WEIGHT: 272.25124
SMILES: C1=CC(=CC=C1O)O[C@H]2C(C([C@@H](C(O2)CO)O)O)O
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Product OPENEYE NAME: 2-methylbutanedioic acid
CAS Name: 2-methylbutanedioic acid
IUPAC NAME: 2-methylbutanedioic acid
SYSTEMATIC NAME: 2-methylbutanedioic acid
MOLECULAR FORMULA: C5H8O4
MOLECULAR WEIGHT: 132.11462
SMILES: CC(CC(=O)O)C(=O)O
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Product OPENEYE NAME: 2,4,5,6-tetrahydroxyhexanoic acid
CAS Name: 2,4,5,6-tetrahydroxyhexanoic acid
IUPAC NAME: 2,4,5,6-tetrahydroxyhexanoic acid
SYSTEMATIC NAME: 2,4,5,6-tetrakis(oxidanyl)hexanoic acid
MOLECULAR FORMULA: C6H12O6
MOLECULAR WEIGHT: 180.15588
SMILES: C(C(C(CO)O)O)C(C(=O)O)O
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Product OPENEYE NAME: furan-3-carbaldehyde
CAS Name: 3-furancarboxaldehyde
IUPAC NAME: furan-3-carbaldehyde
SYSTEMATIC NAME: furan-3-carbaldehyde
MOLECULAR FORMULA: C5H4O2
MOLECULAR WEIGHT: 96.08406
SMILES: C1=COC=C1C=O
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