CAS RN: 331717-42-1
CAS Name: (2S)-2-hydroxypentanoate
OPENEYE Name: (2S)-2-hydroxypentanoate
IUPAC Name: (2S)-2-hydroxypentanoate
SYSTEMATIC NAME: (2S)-2-oxidanylpentanoate
MOLECULAR FORMULA: C5H9O3-
MOLECULAR WEIGHT: 117.12316
SMILES: CCC[C@@H](C(=O)[O-])O
Structure:
CAS RN: 81012-91-1
CAS Name: (2S)-2-ammonio-5-(1-naphthalenylamino)-5-oxopentanoate
OPENEYE Name: (2S)-2-azaniumyl-5-(1-naphthylamino)-5-oxo-pentanoate
IUPAC Name: (2S)-2-azaniumyl-5-(naphthalen-1-ylamino)-5-oxopentanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-5-(naphthalen-1-ylamino)-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C15H16N2O3
MOLECULAR WEIGHT: 272.29914
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)CC[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 5345-01-7
CAS Name: 3-ethyl-3-methylpentanedioate
OPENEYE Name: 3-ethyl-3-methyl-pentanedioate
IUPAC Name: 3-ethyl-3-methylpentanedioate
SYSTEMATIC NAME: 3-ethyl-3-methyl-pentanedioate
MOLECULAR FORMULA: C8H12O4-2
MOLECULAR WEIGHT: 172.17848
SMILES: CCC(C)(CC(=O)[O-])CC(=O)[O-]
Structure:
CAS RN: 17136-45-7
CAS Name: (2S)-3-hydroxy-2-[(phenylmethyl)ammonio]propanoate
OPENEYE Name: (2S)-2-(benzylammonio)-3-hydroxy-propanoate
IUPAC Name: (2S)-2-(benzylazaniumyl)-3-hydroxypropanoate
SYSTEMATIC NAME: (2S)-3-oxidanyl-2-[(phenylmethyl)azaniumyl]propanoate
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: C1=CC=C(C=C1)C[NH2+][C@@H](CO)C(=O)[O-]
Structure:
CAS RN: 33233-67-9
CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]benzoate
OPENEYE Name: 4-[(tert-butoxycarbonylamino)methyl]benzoate
IUPAC Name: 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
SYSTEMATIC NAME: 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
MOLECULAR FORMULA: C13H16NO4-
MOLECULAR WEIGHT: 250.27044
SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)[O-]
Structure:
CAS RN: 82424-53-1
CAS Name: (2R)-2-anilino-2-phenylacetonitrile
OPENEYE Name: (2R)-2-anilino-2-phenyl-acetonitrile
IUPAC Name: (2R)-2-anilino-2-phenylacetonitrile
SYSTEMATIC NAME: (2R)-2-phenyl-2-phenylazanyl-ethanenitrile
MOLECULAR FORMULA: C14H12N2
MOLECULAR WEIGHT: 208.25848
SMILES: C1=CC=C(C=C1)[C@H](C#N)NC2=CC=CC=C2
Structure:
CAS RN: 82424-53-1
CAS Name: (2S)-2-anilino-2-phenylacetonitrile
OPENEYE Name: (2S)-2-anilino-2-phenyl-acetonitrile
IUPAC Name: (2S)-2-anilino-2-phenylacetonitrile
SYSTEMATIC NAME: (2S)-2-phenyl-2-phenylazanyl-ethanenitrile
MOLECULAR FORMULA: C14H12N2
MOLECULAR WEIGHT: 208.25848
SMILES: C1=CC=C(C=C1)[C@@H](C#N)NC2=CC=CC=C2
Structure:
CAS RN: 13333-81-8
CAS Name: 2-(2,4,6-trimethylphenoxy)acetate
OPENEYE Name: 2-(2,4,6-trimethylphenoxy)acetate
IUPAC Name: 2-(2,4,6-trimethylphenoxy)acetate
SYSTEMATIC NAME: 2-(2,4,6-trimethylphenoxy)ethanoate
MOLECULAR FORMULA: C11H13O3-
MOLECULAR WEIGHT: 193.21912
SMILES: CC1=CC(=C(C(=C1)C)OCC(=O)[O-])C
Structure:
CAS RN: 22047-88-7
CAS Name: (2R)-2-phenyl-2-phenylmethoxyacetate
OPENEYE Name: (2R)-2-benzyloxy-2-phenyl-acetate
IUPAC Name: (2R)-2-phenyl-2-phenylmethoxyacetate
SYSTEMATIC NAME: (2R)-2-phenyl-2-phenylmethoxy-ethanoate
MOLECULAR FORMULA: C15H13O3-
MOLECULAR WEIGHT: 241.26192
SMILES: C1=CC=C(C=C1)CO[C@H](C2=CC=CC=C2)C(=O)[O-]
Structure:
CAS RN: 22047-88-7
CAS Name: (2S)-2-phenyl-2-phenylmethoxyacetate
OPENEYE Name: (2S)-2-benzyloxy-2-phenyl-acetate
IUPAC Name: (2S)-2-phenyl-2-phenylmethoxyacetate
SYSTEMATIC NAME: (2S)-2-phenyl-2-phenylmethoxy-ethanoate
MOLECULAR FORMULA: C15H13O3-
MOLECULAR WEIGHT: 241.26192
SMILES: C1=CC=C(C=C1)CO[C@@H](C2=CC=CC=C2)C(=O)[O-]
Structure:
CAS RN: 4276-09-9
CAS Name: (2R)-2-amino-3-methyl-1-butanol
OPENEYE Name: (2R)-2-amino-3-methyl-butan-1-ol
IUPAC Name: (2R)-2-amino-3-methylbutan-1-ol
SYSTEMATIC NAME: (2R)-2-azanyl-3-methyl-butan-1-ol
MOLECULAR FORMULA: C5H13NO
MOLECULAR WEIGHT: 103.16282
SMILES: CC(C)[C@H](CO)N
Structure:
CAS RN: 496-74-2
CAS Name: 4-methylbenzene-1,2-dithiolate
OPENEYE Name: 4-methylbenzene-1,2-dithiolate
IUPAC Name: 4-methylbenzene-1,2-dithiolate
SYSTEMATIC NAME: 4-methylbenzene-1,2-dithiolate
MOLECULAR FORMULA: C7H6S2-2
MOLECULAR WEIGHT: 154.25254
SMILES: CC1=CC(=C(C=C1)[S-])[S-]
Structure:
CAS RN: 39994-75-7
CAS Name: [(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]ammonium
OPENEYE Name: [(1S,2R)-2-hydroxy-1-methoxycarbonyl-propyl]ammonium
IUPAC Name: [(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]azanium
SYSTEMATIC NAME: [(2S,3R)-1-methoxy-3-oxidanyl-1-oxidanylidene-butan-2-yl]azanium
MOLECULAR FORMULA: C5H12NO3+
MOLECULAR WEIGHT: 134.15368
SMILES: C[C@H]([C@@H](C(=O)OC)[NH3+])O
Structure:
CAS RN: 52605-49-9
CAS Name: (2-ethoxy-2-oxoethyl)-methylammonium
OPENEYE Name: (2-ethoxy-2-oxo-ethyl)-methyl-ammonium
IUPAC Name: (2-ethoxy-2-oxoethyl)-methylazanium
SYSTEMATIC NAME: (2-ethoxy-2-oxidanylidene-ethyl)-methyl-azanium
MOLECULAR FORMULA: C5H12NO2+
MOLECULAR WEIGHT: 118.15428
SMILES: CCOC(=O)C[NH2+]C
Structure:
CAS RN: 96854-34-1
CAS Name: (1S)-1-phenylpropane-1,3-diol
OPENEYE Name: (1S)-1-phenylpropane-1,3-diol
IUPAC Name: (1S)-1-phenylpropane-1,3-diol
SYSTEMATIC NAME: (1S)-1-phenylpropane-1,3-diol
MOLECULAR FORMULA: C9H12O2
MOLECULAR WEIGHT: 152.19038
SMILES: C1=CC=C(C=C1)[C@H](CCO)O
Structure:
CAS RN: 53941-45-0
CAS Name: [(R)-cyano(phenyl)methyl]ammonium
OPENEYE Name: [(R)-cyano(phenyl)methyl]ammonium
IUPAC Name: [(R)-cyano(phenyl)methyl]azanium
SYSTEMATIC NAME: [(R)-cyano(phenyl)methyl]azanium
MOLECULAR FORMULA: C8H9N2+
MOLECULAR WEIGHT: 133.17046
SMILES: C1=CC=C(C=C1)[C@H](C#N)[NH3+]
Structure:
CAS RN: 53941-45-0
CAS Name: [(S)-cyano(phenyl)methyl]ammonium
OPENEYE Name: [(S)-cyano(phenyl)methyl]ammonium
IUPAC Name: [(S)-cyano(phenyl)methyl]azanium
SYSTEMATIC NAME: [(S)-cyano(phenyl)methyl]azanium
MOLECULAR FORMULA: C8H9N2+
MOLECULAR WEIGHT: 133.17046
SMILES: C1=CC=C(C=C1)[C@@H](C#N)[NH3+]
Structure:
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