Product OPENEYE NAME: 2-cyclopropyl-2-(2-naphthyl)acetic acid
CAS Name: 2-cyclopropyl-2-(2-naphthalenyl)acetic acid
IUPAC NAME: 2-cyclopropyl-2-naphthalen-2-ylacetic acid
SYSTEMATIC NAME: 2-cyclopropyl-2-naphthalen-2-yl-ethanoic acid
MOLECULAR FORMULA: C15H14O2
MOLECULAR WEIGHT: 226.27046
SMILES: C1CC1C(C2=CC3=CC=CC=C3C=C2)C(=O)O
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Product OPENEYE NAME: 3-furylmethanol; 3-methylbenzonitrile
CAS Name: 3-furanylmethanol; 3-methylbenzonitrile
IUPAC NAME: furan-3-ylmethanol; 3-methylbenzonitrile
SYSTEMATIC NAME: furan-3-ylmethanol; 3-methylbenzenecarbonitrile
MOLECULAR FORMULA: C13H13NO2
MOLECULAR WEIGHT: 215.24782
SMILES: CC1=CC=CC(=C1)C#N.C1=COC=C1CO
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Product OPENEYE NAME: boron(1-); methylammonium
CAS Name: boron(1-); methylammonium
IUPAC NAME: boron(1-); methylazanium
SYSTEMATIC NAME: boron(1-); methylazanium
MOLECULAR FORMULA: CH6BN
MOLECULAR WEIGHT: 42.87604
SMILES: [B-].C[NH3+]
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Product OPENEYE NAME: (E)-1,4-bis(2,4-dihydroxyphenyl)but-2-ene-1,4-dione
CAS Name: (E)-1,4-bis(2,4-dihydroxyphenyl)-2-butene-1,4-dione
IUPAC NAME: (E)-1,4-bis(2,4-dihydroxyphenyl)but-2-ene-1,4-dione
SYSTEMATIC NAME: (E)-1,4-bis[2,4-bis(oxidanyl)phenyl]but-2-ene-1,4-dione
MOLECULAR FORMULA: C16H12O6
MOLECULAR WEIGHT: 300.26288
SMILES: C1=CC(=C(C=C1O)O)C(=O)/C=C/C(=O)C2=C(C=C(C=C2)O)O
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Product OPENEYE NAME: (E)-1,4-bis(2,4-dimethylphenyl)but-2-ene-1,4-dione
CAS Name: (E)-1,4-bis(2,4-dimethylphenyl)-2-butene-1,4-dione
IUPAC NAME: (E)-1,4-bis(2,4-dimethylphenyl)but-2-ene-1,4-dione
SYSTEMATIC NAME: (E)-1,4-bis(2,4-dimethylphenyl)but-2-ene-1,4-dione
MOLECULAR FORMULA: C20H20O2
MOLECULAR WEIGHT: 292.3716
SMILES: CC1=CC(=C(C=C1)C(=O)/C=C/C(=O)C2=C(C=C(C=C2)C)C)C
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Product OPENEYE NAME: 2-(hexadecanoylamino)-3-[2-(2-hexadecoxyethoxy)ethylsulfanyl]propanoic acid
CAS Name: 3-[2-(2-hexadecoxyethoxy)ethylthio]-2-(1-oxohexadecylamino)propanoic acid
IUPAC NAME: 2-(hexadecanoylamino)-3-[2-(2-hexadecoxyethoxy)ethylsulfanyl]propanoic acid
SYSTEMATIC NAME: 2-(hexadecanoylamino)-3-[2-(2-hexadecoxyethoxy)ethylsulfanyl]propanoic acid
MOLECULAR FORMULA: C39H77NO5S
MOLECULAR WEIGHT: 672.09738
SMILES: CCCCCCCCCCCCCCCCOCCOCCSCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCC
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Product OPENEYE NAME: 2-(hexadecanoylamino)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]propanoic acid
CAS Name: 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylthio]-2-(1-oxohexadecylamino)propanoic acid
IUPAC NAME: 2-(hexadecanoylamino)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]propanoic acid
SYSTEMATIC NAME: 2-(hexadecanoylamino)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]propanoic acid
MOLECULAR FORMULA: C38H75NO12S
MOLECULAR WEIGHT: 770.0666
SMILES: CCCCCCCCCCCCCCCC(=O)NC(CSCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C(=O)O
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Product OPENEYE NAME: 2-[2-hexadecoxy-2-(p-tolylsulfonyl)ethoxy]ethanol
CAS Name: 2-[2-hexadecoxy-2-(4-methylphenyl)sulfonylethoxy]ethanol
IUPAC NAME: 2-[2-hexadecoxy-2-(4-methylphenyl)sulfonylethoxy]ethanol
SYSTEMATIC NAME: 2-[2-hexadecoxy-2-(4-methylphenyl)sulfonyl-ethoxy]ethanol
MOLECULAR FORMULA: C27H48O5S
MOLECULAR WEIGHT: 484.73202
SMILES: CCCCCCCCCCCCCCCCOC(COCCO)S(=O)(=O)C1=CC=C(C=C1)C
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Product OPENEYE NAME: 2-amino-3-oxo-2-(sulfanylmethyl)octadecanoic acid
CAS Name: 2-amino-2-(mercaptomethyl)-3-oxooctadecanoic acid
IUPAC NAME: 2-amino-3-oxo-2-(sulfanylmethyl)octadecanoic acid
SYSTEMATIC NAME: 2-azanyl-3-oxidanylidene-2-(sulfanylmethyl)octadecanoic acid
MOLECULAR FORMULA: C19H37NO3S
MOLECULAR WEIGHT: 359.56698
SMILES: CCCCCCCCCCCCCCCC(=O)C(CS)(C(=O)O)N
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Product OPENEYE NAME: 3-sulfanyl-2-(2,3,4-trihydroxybutylamino)propanoic acid
CAS Name: 3-mercapto-2-(2,3,4-trihydroxybutylamino)propanoic acid
IUPAC NAME: 3-sulfanyl-2-(2,3,4-trihydroxybutylamino)propanoic acid
SYSTEMATIC NAME: 3-sulfanyl-2-[2,3,4-tris(oxidanyl)butylamino]propanoic acid
MOLECULAR FORMULA: C7H15NO5S
MOLECULAR WEIGHT: 225.2627
SMILES: C(C(C(CO)O)O)NC(CS)C(=O)O
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Product OPENEYE NAME: benzhydryl 2-(hexadecanoylamino)-3-(2-hydroxyoctadecylsulfanyl)propanoate
CAS Name: 3-(2-hydroxyoctadecylthio)-2-(1-oxohexadecylamino)propanoic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 2-(hexadecanoylamino)-3-(2-hydroxyoctadecylsulfanyl)propanoate
SYSTEMATIC NAME: (diphenylmethyl) 2-(hexadecanoylamino)-3-(2-oxidanyloctadecylsulfanyl)propanoate
MOLECULAR FORMULA: C50H83NO4S
MOLECULAR WEIGHT: 794.26332
SMILES: CCCCCCCCCCCCCCCCC(CSCC(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)CCCCCCCCCCCCCCC)O
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Product OPENEYE NAME: 3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(dodecanoylamino)propanoic acid
CAS Name: 3-[2,3-bis(1-oxohexadecoxy)propylthio]-2-(1-oxododecylamino)propanoic acid
IUPAC NAME: 3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(dodecanoylamino)propanoic acid
SYSTEMATIC NAME: 3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(dodecanoylamino)propanoic acid
MOLECULAR FORMULA: C50H95NO7S
MOLECULAR WEIGHT: 854.3568
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C(=O)O)NC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
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Product OPENEYE NAME: 2-(hexadecanoylamino)-3-(2-hydroxyicosylsulfanyl)propanoic acid
CAS Name: 3-(2-hydroxyeicosylthio)-2-(1-oxohexadecylamino)propanoic acid
IUPAC NAME: 2-(hexadecanoylamino)-3-(2-hydroxyicosylsulfanyl)propanoic acid
SYSTEMATIC NAME: 2-(hexadecanoylamino)-3-(2-oxidanylicosylsulfanyl)propanoic acid
MOLECULAR FORMULA: C39H77NO4S
MOLECULAR WEIGHT: 656.09798
SMILES: CCCCCCCCCCCCCCCCCCC(CSCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCC)O
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Product OPENEYE NAME: 2-(hexadecanoylamino)-3-(2-hexadecanoyloxydodecylsulfanyl)propanoic acid
CAS Name: 3-[2-(1-oxohexadecoxy)dodecylthio]-2-(1-oxohexadecylamino)propanoic acid
IUPAC NAME: 2-(hexadecanoylamino)-3-(2-hexadecanoyloxydodecylsulfanyl)propanoic acid
SYSTEMATIC NAME: 2-(hexadecanoylamino)-3-(2-hexadecanoyloxydodecylsulfanyl)propanoic acid
MOLECULAR FORMULA: C47H91NO5S
MOLECULAR WEIGHT: 782.29414
SMILES: CCCCCCCCCCCCCCCC(=O)NC(CSCC(CCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)O
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