CAS RN: 5740-50-1
CAS Name: 1-diazinanecarboxylic acid ethyl ester
OPENEYE Name: ethyl hexahydropyridazine-1-carboxylate
IUPAC Name: ethyl diazinane-1-carboxylate
SYSTEMATIC NAME: ethyl 1,2-diazinane-1-carboxylate
MOLECULAR FORMULA: C7H14N2O2
MOLECULAR WEIGHT: 158.19826
SMILES: CCOC(=O)N1CCCCN1
Structure:
CAS RN: 5691-98-5
CAS Name: 2,4,6,8-tetramethyloctacosanoic acid
OPENEYE Name: 2,4,6,8-tetramethyloctacosanoic acid
IUPAC Name: 2,4,6,8-tetramethyloctacosanoic acid
SYSTEMATIC NAME: 2,4,6,8-tetramethyloctacosanoic acid
MOLECULAR FORMULA: C32H64O2
MOLECULAR WEIGHT: 480.84936
SMILES: CCCCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C(=O)O
Structure:
CAS RN: 5673-09-6
CAS Name: 2-hexylbenzene-1,3-diol
OPENEYE Name: 2-hexylbenzene-1,3-diol
IUPAC Name: 2-hexylbenzene-1,3-diol
SYSTEMATIC NAME: 2-hexylbenzene-1,3-diol
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CCCCCCC1=C(C=CC=C1O)O
Structure:
CAS RN: 5669-11-4
CAS Name: 2-phenacylbenzaldehyde
OPENEYE Name: 2-phenacylbenzaldehyde
IUPAC Name: 2-phenacylbenzaldehyde
SYSTEMATIC NAME: 2-phenacylbenzaldehyde
MOLECULAR FORMULA: C15H12O2
MOLECULAR WEIGHT: 224.25458
SMILES: C1=CC=C(C=C1)C(=O)CC2=CC=CC=C2C=O
Structure:
CAS RN: 5622-77-5
CAS Name: O-butylhydroxylamine
OPENEYE Name: O-butylhydroxylamine
IUPAC Name: O-butylhydroxylamine
SYSTEMATIC NAME: O-butylhydroxylamine
MOLECULAR FORMULA: C4H11NO
MOLECULAR WEIGHT: 89.13624
SMILES: CCCCON
Structure:
CAS RN: 5504-71-2
CAS Name: 2-amino-N-(2-benzoyl-4-chlorophenyl)acetamide
OPENEYE Name: 2-amino-N-(2-benzoyl-4-chloro-phenyl)acetamide
IUPAC Name: 2-amino-N-(2-benzoyl-4-chlorophenyl)acetamide
SYSTEMATIC NAME: 2-azanyl-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]ethanamide
MOLECULAR FORMULA: C15H13ClN2O2
MOLECULAR WEIGHT: 288.72892
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CN
Structure:
CAS RN: 5492-69-3
CAS Name: tetraethylammonium periodate
OPENEYE Name: tetraethylammonium periodate
IUPAC Name: tetraethylazanium periodate
SYSTEMATIC NAME: tetraethylazanium periodate
MOLECULAR FORMULA: C8H20INO4
MOLECULAR WEIGHT: 321.15317
SMILES: CC[N+](CC)(CC)CC.[O-]I(=O)(=O)=O
Structure:
CAS RN: 5370-19-4
CAS Name: 5-iodo-2-thiophenecarboxaldehyde
OPENEYE Name: 5-iodothiophene-2-carbaldehyde
IUPAC Name: 5-iodothiophene-2-carbaldehyde
SYSTEMATIC NAME: 5-iodanylthiophene-2-carbaldehyde
MOLECULAR FORMULA: C5H3IOS
MOLECULAR WEIGHT: 238.04619
SMILES: C1=C(SC(=C1)I)C=O
Structure:
CAS RN: 5321-61-9
CAS Name: 1-[(3-methylphenyl)methyl]piperazine dihydrochloride
OPENEYE Name: 1-(m-tolylmethyl)piperazine dihydrochloride
IUPAC Name: 1-[(3-methylphenyl)methyl]piperazine dihydrochloride
SYSTEMATIC NAME: 1-[(3-methylphenyl)methyl]piperazine dihydrochloride
MOLECULAR FORMULA: C12H20Cl2N2
MOLECULAR WEIGHT: 263.2066
SMILES: CC1=CC(=CC=C1)CN2CCNCC2.Cl.Cl
Structure:
CAS RN: 5320-31-0
CAS Name: 2-(3,4,5-trimethoxyphenyl)acetaldehyde
OPENEYE Name: 2-(3,4,5-trimethoxyphenyl)acetaldehyde
IUPAC Name: 2-(3,4,5-trimethoxyphenyl)acetaldehyde
SYSTEMATIC NAME: 2-(3,4,5-trimethoxyphenyl)ethanal
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: COC1=CC(=CC(=C1OC)OC)CC=O
Structure:
CAS RN: 5302-43-2
CAS Name: 2-amino-4-(oxaloamino)butanoic acid
OPENEYE Name: 2-amino-4-(oxaloamino)butanoic acid
IUPAC Name: 2-amino-4-(oxaloamino)butanoic acid
SYSTEMATIC NAME: 2-azanyl-4-(carboxycarbonylamino)butanoic acid
MOLECULAR FORMULA: C6H10N2O5
MOLECULAR WEIGHT: 190.154
SMILES: C(CNC(=O)C(=O)O)C(C(=O)O)N
Structure:
CAS RN: 5280-07-9
CAS Name: 5,6,7,8-tetrafluoroquinoline
OPENEYE Name: 5,6,7,8-tetrafluoroquinoline
IUPAC Name: 5,6,7,8-tetrafluoroquinoline
SYSTEMATIC NAME: 5,6,7,8-tetrakis(fluoranyl)quinoline
MOLECULAR FORMULA: C9H3F4N
MOLECULAR WEIGHT: 201.120433
SMILES: C1=CC2=C(C(=C(C(=C2F)F)F)F)N=C1
Structure:
CAS RN: 5273-88-1
CAS Name: 1,2,3-trimethoxy-4-prop-2-enylbenzene
OPENEYE Name: 1-allyl-2,3,4-trimethoxy-benzene
IUPAC Name: 1,2,3-trimethoxy-4-prop-2-enylbenzene
SYSTEMATIC NAME: 1,2,3-trimethoxy-4-prop-2-enyl-benzene
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: COC1=C(C(=C(C=C1)CC=C)OC)OC
Structure:
CAS RN: 5266-15-9
CAS Name: phosphoric acid bis(2-chloroethyl) (2,3,5-trichlorophenyl) ester
OPENEYE Name: bis(2-chloroethyl) (2,3,5-trichlorophenyl) phosphate
IUPAC Name: bis(2-chloroethyl) (2,3,5-trichlorophenyl) phosphate
SYSTEMATIC NAME: bis(2-chloroethyl) [2,3,5-tris(chloranyl)phenyl] phosphate
MOLECULAR FORMULA: C10H10Cl5O4P
MOLECULAR WEIGHT: 402.422761
SMILES: C1=C(C=C(C(=C1Cl)Cl)OP(=O)(OCCCl)OCCCl)Cl
Structure:
CAS RN: 5145-46-0
CAS Name: magnesium carbonate trihydrate
OPENEYE Name: magnesium carbonate trihydrate
IUPAC Name: magnesium carbonate trihydrate
SYSTEMATIC NAME: magnesium carbonate trihydrate
MOLECULAR FORMULA: CH6MgO6
MOLECULAR WEIGHT: 138.35974
SMILES: C(=O)([O-])[O-].O.O.O.[Mg+2]
Structure:
CAS RN: 5114-93-2
CAS Name: sodium 4-diazonio-3-oxido-1-naphthalenesulfonate
OPENEYE Name: sodium 4-diazonio-3-oxido-naphthalene-1-sulfonate
IUPAC Name: sodium 4-diazonio-3-oxidonaphthalene-1-sulfonate
SYSTEMATIC NAME: sodium 4-diazonio-3-oxidanidyl-naphthalene-1-sulfonate
MOLECULAR FORMULA: C10H5N2NaO4S
MOLECULAR WEIGHT: 272.21247
SMILES: C1=CC=C2C(=C1)C(=CC(=C2[N+]#N)[O-])S(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 5081-02-7
CAS Name: ammonium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoroundecanoate
OPENEYE Name: ammonium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoate
IUPAC Name: azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoate
SYSTEMATIC NAME: azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosakis(fluoranyl)undecanoate
MOLECULAR FORMULA: C11H5F20NO2
MOLECULAR WEIGHT: 563.130964
SMILES: C(C(C(C(C(C(C(C(C(C(C(=O)[O-])(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[NH4+]
Structure:
CAS RN: 5078-08-0
CAS Name: 6-ethoxy-2-methyl-1,3-benzoxazole
OPENEYE Name: 6-ethoxy-2-methyl-1,3-benzoxazole
IUPAC Name: 6-ethoxy-2-methyl-1,3-benzoxazole
SYSTEMATIC NAME: 6-ethoxy-2-methyl-1,3-benzoxazole
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: CCOC1=CC2=C(C=C1)N=C(O2)C
Structure:
CAS RN: 5057-52-3
CAS Name: 4-(2-chlorophenoxy)butanoic acid
OPENEYE Name: 4-(2-chlorophenoxy)butanoic acid
IUPAC Name: 4-(2-chlorophenoxy)butanoic acid
SYSTEMATIC NAME: 4-(2-chloranylphenoxy)butanoic acid
MOLECULAR FORMULA: C10H11ClO3
MOLECULAR WEIGHT: 214.64554
SMILES: C1=CC=C(C(=C1)OCCCC(=O)O)Cl
Structure:
CAS RN: 5057-51-2
CAS Name: 4-(3-chlorophenoxy)butanoic acid
OPENEYE Name: 4-(3-chlorophenoxy)butanoic acid
IUPAC Name: 4-(3-chlorophenoxy)butanoic acid
SYSTEMATIC NAME: 4-(3-chloranylphenoxy)butanoic acid
MOLECULAR FORMULA: C10H11ClO3
MOLECULAR WEIGHT: 214.64554
SMILES: C1=CC(=CC(=C1)Cl)OCCCC(=O)O
Structure:
CAS RN: 5050-58-8
CAS Name: 1-(2,2-dimethyl-3-oxazolidinyl)ethanone
OPENEYE Name: 1-(2,2-dimethyloxazolidin-3-yl)ethanone
IUPAC Name: 1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
SYSTEMATIC NAME: 1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
MOLECULAR FORMULA: C7H13NO2
MOLECULAR WEIGHT: 143.18362
SMILES: CC(=O)N1CCOC1(C)C
Structure:
CAS RN: 5021-46-5
CAS Name: 2-(4-methoxyphenyl)quinoxaline
OPENEYE Name: 2-(4-methoxyphenyl)quinoxaline
IUPAC Name: 2-(4-methoxyphenyl)quinoxaline
SYSTEMATIC NAME: 2-(4-methoxyphenyl)quinoxaline
MOLECULAR FORMULA: C15H12N2O
MOLECULAR WEIGHT: 236.26858
SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2
Structure:
CAS RN: 4974-07-6
CAS Name: 1-(3-hydroxypropyl)-3-phenylurea
OPENEYE Name: 1-(3-hydroxypropyl)-3-phenyl-urea
IUPAC Name: 1-(3-hydroxypropyl)-3-phenylurea
SYSTEMATIC NAME: 1-(3-oxidanylpropyl)-3-phenyl-urea
MOLECULAR FORMULA: C10H14N2O2
MOLECULAR WEIGHT: 194.23036
SMILES: C1=CC=C(C=C1)NC(=O)NCCCO
Structure:
CAS RN: 4973-24-4
CAS Name: 2,6-ditert-butyl-4-propylphenol
OPENEYE Name: 2,6-ditert-butyl-4-propyl-phenol
IUPAC Name: 2,6-ditert-butyl-4-propylphenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-propyl-phenol
MOLECULAR FORMULA: C17H28O
MOLECULAR WEIGHT: 248.40362
SMILES: CCCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Structure:
CAS RN: 4957-06-6
CAS Name: 1-[2-chloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene
OPENEYE Name: 1-[2-chloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxy-benzene
IUPAC Name: 1-[2-chloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene
SYSTEMATIC NAME: 1-[2-chloranyl-1-(4-ethoxyphenyl)ethyl]-4-ethoxy-benzene
MOLECULAR FORMULA: C18H21ClO2
MOLECULAR WEIGHT: 304.81114
SMILES: CCOC1=CC=C(C=C1)C(CCl)C2=CC=C(C=C2)OCC
Structure:
CAS RN: 4957-05-5
CAS Name: 1-[2-chloro-1-(4-methoxyphenyl)ethyl]-4-methoxybenzene
OPENEYE Name: 1-[2-chloro-1-(4-methoxyphenyl)ethyl]-4-methoxy-benzene
IUPAC Name: 1-[2-chloro-1-(4-methoxyphenyl)ethyl]-4-methoxybenzene
SYSTEMATIC NAME: 1-[2-chloranyl-1-(4-methoxyphenyl)ethyl]-4-methoxy-benzene
MOLECULAR FORMULA: C16H17ClO2
MOLECULAR WEIGHT: 276.75798
SMILES: COC1=CC=C(C=C1)C(CCl)C2=CC=C(C=C2)OC
Structure:
CAS RN: 4940-17-4
CAS Name: 2-butyl-3-hydroxy-4-pyranone
OPENEYE Name: 2-butyl-3-hydroxy-pyran-4-one
IUPAC Name: 2-butyl-3-hydroxypyran-4-one
SYSTEMATIC NAME: 2-butyl-3-oxidanyl-pyran-4-one
MOLECULAR FORMULA: C9H12O3
MOLECULAR WEIGHT: 168.18978
SMILES: CCCCC1=C(C(=O)C=CO1)O
Structure:
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