CAS RN: 53456-09-0
CAS Name: 2-bromo-4-methylbenzoyl chloride
OPENEYE Name: 2-bromo-4-methyl-benzoyl chloride
IUPAC Name: 2-bromo-4-methylbenzoyl chloride
SYSTEMATIC NAME: 2-bromanyl-4-methyl-benzoyl chloride
MOLECULAR FORMULA: C8H6BrClO
MOLECULAR WEIGHT: 233.48964
SMILES: CC1=CC(=C(C=C1)C(=O)Cl)Br
Structure:
CAS RN: 13329-14-1
CAS Name: 2-phenyl-1-benzopyrylium chloride
OPENEYE Name: 2-phenylchromenylium chloride
IUPAC Name: 2-phenylchromenylium chloride
SYSTEMATIC NAME: 2-phenylchromenylium chloride
MOLECULAR FORMULA: C15H11ClO
MOLECULAR WEIGHT: 242.70024
SMILES: C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2.[Cl-]
Structure:
CAS RN: 144949-02-0
CAS Name: 3-phenyl-3-phosphonopropanoic acid
OPENEYE Name: 3-phenyl-3-phosphono-propanoic acid
IUPAC Name: 3-phenyl-3-phosphonopropanoic acid
SYSTEMATIC NAME: 3-phenyl-3-phosphono-propanoic acid
MOLECULAR FORMULA: C9H11O5P
MOLECULAR WEIGHT: 230.154401
SMILES: C1=CC=C(C=C1)C(CC(=O)O)P(=O)(O)O
Structure:
CAS RN: 5703-50-4
CAS Name: 3-phenyl-3-phosphonopropanoic acid
OPENEYE Name: 3-phenyl-3-phosphono-propanoic acid
IUPAC Name: 3-phenyl-3-phosphonopropanoic acid
SYSTEMATIC NAME: 3-phenyl-3-phosphono-propanoic acid
MOLECULAR FORMULA: C9H11O5P
MOLECULAR WEIGHT: 230.154401
SMILES: C1=CC=C(C=C1)C(CC(=O)O)P(=O)(O)O
Structure:
CAS RN: 5440-22-2
CAS Name: 3-amino-4-methyl-2-pentanone hydrochloride
OPENEYE Name: 3-amino-4-methyl-pentan-2-one hydrochloride
IUPAC Name: 3-amino-4-methylpentan-2-one hydrochloride
SYSTEMATIC NAME: 3-azanyl-4-methyl-pentan-2-one hydrochloride
MOLECULAR FORMULA: C6H14ClNO
MOLECULAR WEIGHT: 151.63446
SMILES: CC(C)C(C(=O)C)N.Cl
Structure:
CAS RN: 24300-70-7
CAS Name: 3,4-dimethylthiazol-3-ium iodide
OPENEYE Name: 3,4-dimethylthiazol-3-ium iodide
IUPAC Name: 3,4-dimethyl-1,3-thiazol-3-ium iodide
SYSTEMATIC NAME: 3,4-dimethyl-1,3-thiazol-3-ium iodide
MOLECULAR FORMULA: C5H8INS
MOLECULAR WEIGHT: 241.09319
SMILES: CC1=CSC=[N+]1C.[I-]
Structure:
CAS RN: 473732-95-5
CAS Name: 1-(5-methyl-2-furanyl)-1-propanamine
OPENEYE Name: 1-(5-methyl-2-furyl)propan-1-amine
IUPAC Name: 1-(5-methylfuran-2-yl)propan-1-amine
SYSTEMATIC NAME: 1-(5-methylfuran-2-yl)propan-1-amine
MOLECULAR FORMULA: C8H13NO
MOLECULAR WEIGHT: 139.19492
SMILES: CCC(C1=CC=C(O1)C)N
Structure:
CAS RN: 132178-78-0
CAS Name: 1,5-dibromonaphthalene-2,6-diol
OPENEYE Name: 1,5-dibromonaphthalene-2,6-diol
IUPAC Name: 1,5-dibromonaphthalene-2,6-diol
SYSTEMATIC NAME: 1,5-bis(bromanyl)naphthalene-2,6-diol
MOLECULAR FORMULA: C10H6Br2O2
MOLECULAR WEIGHT: 317.96144
SMILES: C1=CC(=C(C2=C1C(=C(C=C2)O)Br)Br)O
Structure:
CAS RN: 67015-10-5
CAS Name: 2-azido-N'-hydroxyethanimidamide
OPENEYE Name: 2-azido-N'-hydroxy-acetamidine
IUPAC Name: 2-azido-N'-hydroxyethanimidamide
SYSTEMATIC NAME: 2-azido-N'-oxidanyl-ethanimidamide
MOLECULAR FORMULA: C2H5N5O
MOLECULAR WEIGHT: 115.094
SMILES: C(/C(=N/O)/N)N=[N+]=[N-]
Structure:
CAS RN: 2890-88-2
CAS Name: N,N-diethylethanamine; trichloroborane
OPENEYE Name: N,N-diethylethanamine; trichloroborane
IUPAC Name: N,N-diethylethanamine; trichloroborane
SYSTEMATIC NAME: N,N-diethylethanamine; tris(chloranyl)borane
MOLECULAR FORMULA: C6H15BCl3N
MOLECULAR WEIGHT: 218.36
SMILES: B(Cl)(Cl)Cl.CCN(CC)CC
Structure:
CAS RN: 95992-27-1
CAS Name: (2S)-2-aminopentanedioic acid dihexadecyl ester; 4-methylbenzenesulfonic acid
OPENEYE Name: dihexadecyl (2S)-2-aminopentanedioate; 4-methylbenzenesulfonic acid
IUPAC Name: dihexadecyl (2S)-2-aminopentanedioate; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: dihexadecyl (2S)-2-azanylpentanedioate; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C44H81NO7S
MOLECULAR WEIGHT: 768.18144
SMILES: CCCCCCCCCCCCCCCCOC(=O)CC[C@@H](C(=O)OCCCCCCCCCCCCCCCC)N.CC1=CC=C(C=C1)S(=O)(=O)O
Structure:
CAS RN: 94856-86-7
CAS Name: (2S)-2-aminopentanedioic acid didecyl ester hydrochloride
OPENEYE Name: didecyl (2S)-2-aminopentanedioate hydrochloride
IUPAC Name: didecyl (2S)-2-aminopentanedioate hydrochloride
SYSTEMATIC NAME: didecyl (2S)-2-azanylpentanedioate hydrochloride
MOLECULAR FORMULA: C25H50ClNO4
MOLECULAR WEIGHT: 464.1218
SMILES: CCCCCCCCCCOC(=O)CC[C@@H](C(=O)OCCCCCCCCCC)N.Cl
Structure:
CAS RN: 19373-31-0
CAS Name: 4-[(dimethylamino)methyl]-3,4-dihydro-2H-1-benzothiepin-5-one hydrochloride
OPENEYE Name: 4-[(dimethylamino)methyl]-3,4-dihydro-2H-1-benzothiepin-5-one hydrochloride
IUPAC Name: 4-[(dimethylamino)methyl]-3,4-dihydro-2H-1-benzothiepin-5-one hydrochloride
SYSTEMATIC NAME: 4-[(dimethylamino)methyl]-3,4-dihydro-2H-1-benzothiepin-5-one hydrochloride
MOLECULAR FORMULA: C13H18ClNOS
MOLECULAR WEIGHT: 271.80612
SMILES: CN(C)CC1CCSC2=CC=CC=C2C1=O.Cl
Structure:
CAS RN: 29346-57-4
CAS Name: 2-(carbamoylamino)ethanesulfonic acid
OPENEYE Name: 2-ureidoethanesulfonic acid
IUPAC Name: 2-(carbamoylamino)ethanesulfonic acid
SYSTEMATIC NAME: 2-(aminocarbonylamino)ethanesulfonic acid
MOLECULAR FORMULA: C3H8N2O4S
MOLECULAR WEIGHT: 168.17162
SMILES: C(CS(=O)(=O)O)NC(=O)N
Structure:
CAS RN: 131323-06-3
CAS Name: 2,2-difluoro-2-(4-methylphenyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2,2-difluoro-2-(p-tolyl)acetate
IUPAC Name: ethyl 2,2-difluoro-2-(4-methylphenyl)acetate
SYSTEMATIC NAME: ethyl 2,2-bis(fluoranyl)-2-(4-methylphenyl)ethanoate
MOLECULAR FORMULA: C11H12F2O2
MOLECULAR WEIGHT: 214.208586
SMILES: CCOC(=O)C(C1=CC=C(C=C1)C)(F)F
Structure:
CAS RN: 116170-30-0
CAS Name: 3-chloro-5-ethylsulfinylthiophene-2,4-dicarbonitrile
OPENEYE Name: 3-chloro-5-ethylsulfinyl-thiophene-2,4-dicarbonitrile
IUPAC Name: 3-chloro-5-ethylsulfinylthiophene-2,4-dicarbonitrile
SYSTEMATIC NAME: 3-chloranyl-5-ethylsulfinyl-thiophene-2,4-dicarbonitrile
MOLECULAR FORMULA: C8H5ClN2OS2
MOLECULAR WEIGHT: 244.7211
SMILES: CCS(=O)C1=C(C(=C(S1)C#N)Cl)C#N
Structure:
CAS RN: 167888-20-2
CAS Name: 5-amino-7-[(3S)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
OPENEYE Name: 5-amino-7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
IUPAC Name: 5-amino-7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 5-azanyl-7-[(3S)-3-azanylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C17H19FN4O3
MOLECULAR WEIGHT: 346.356163
SMILES: C1CN(C[C@H]1N)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)N)F
Structure:
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