CAS RN: 28280-37-7
CAS Name: 2,4-difluoro-1-(4-nitrophenoxy)benzene
OPENEYE Name: 2,4-difluoro-1-(4-nitrophenoxy)benzene
IUPAC Name: 2,4-difluoro-1-(4-nitrophenoxy)benzene
SYSTEMATIC NAME: 2,4-bis(fluoranyl)-1-(4-nitrophenoxy)benzene
MOLECULAR FORMULA: C12H7F2NO3
MOLECULAR WEIGHT: 251.185686
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)F)F
Structure:
CAS RN: 28191-41-5
CAS Name: 2-(2-ethylhexyl)guanidine hydrochloride
OPENEYE Name: 2-(2-ethylhexyl)guanidine hydrochloride
IUPAC Name: 2-(2-ethylhexyl)guanidine hydrochloride
SYSTEMATIC NAME: 2-(2-ethylhexyl)guanidine hydrochloride
MOLECULAR FORMULA: C9H22ClN3
MOLECULAR WEIGHT: 207.74408
SMILES: CCCCC(CC)CN=C(N)N.Cl
Structure:
CAS RN: 28165-62-0
CAS Name: 3,6-dichloro-2-hydroxybenzonitrile
OPENEYE Name: 3,6-dichloro-2-hydroxy-benzonitrile
IUPAC Name: 3,6-dichloro-2-hydroxybenzonitrile
SYSTEMATIC NAME: 3,6-bis(chloranyl)-2-oxidanyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H3Cl2NO
MOLECULAR WEIGHT: 188.01082
SMILES: C1=CC(=C(C(=C1Cl)C#N)O)Cl
Structure:
CAS RN: 28163-36-2
CAS Name: 1-(tert-butylamino)-3-(2-cyclopentylphenoxy)-2-propanol hydrochloride
OPENEYE Name: 1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol hydrochloride
IUPAC Name: 1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol hydrochloride
SYSTEMATIC NAME: 1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol hydrochloride
MOLECULAR FORMULA: C18H30ClNO2
MOLECULAR WEIGHT: 327.8893
SMILES: CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)O.Cl
Structure:
CAS RN: 28150-15-4
CAS Name: (3,5-diaminophenyl)methanol dihydrochloride
OPENEYE Name: (3,5-diaminophenyl)methanol dihydrochloride
IUPAC Name: (3,5-diaminophenyl)methanol dihydrochloride
SYSTEMATIC NAME: [3,5-bis(azanyl)phenyl]methanol dihydrochloride
MOLECULAR FORMULA: C7H12Cl2N2O
MOLECULAR WEIGHT: 211.08898
SMILES: C1=C(C=C(C=C1N)N)CO.Cl.Cl
Structure:
CAS RN: 28106-10-7
CAS Name: 1-bromoethoxybenzene
OPENEYE Name: 1-bromoethoxybenzene
IUPAC Name: 1-bromoethoxybenzene
SYSTEMATIC NAME: 1-bromoethyloxybenzene
MOLECULAR FORMULA: C8H9BrO
MOLECULAR WEIGHT: 201.06046
SMILES: CC(OC1=CC=CC=C1)Br
Structure:
CAS RN: 28088-75-7
CAS Name: 1-cyclohexyl-2-(2-cyclohexylphenyl)benzene
OPENEYE Name: 1-cyclohexyl-2-(2-cyclohexylphenyl)benzene
IUPAC Name: 1-cyclohexyl-2-(2-cyclohexylphenyl)benzene
SYSTEMATIC NAME: 1-cyclohexyl-2-(2-cyclohexylphenyl)benzene
MOLECULAR FORMULA: C24H30
MOLECULAR WEIGHT: 318.495
SMILES: C1CCC(CC1)C2=CC=CC=C2C3=CC=CC=C3C4CCCCC4
Structure:
CAS RN: 28023-90-7
CAS Name: 3-(4-chlorophenyl)phenol
OPENEYE Name: 3-(4-chlorophenyl)phenol
IUPAC Name: 3-(4-chlorophenyl)phenol
SYSTEMATIC NAME: 3-(4-chlorophenyl)phenol
MOLECULAR FORMULA: C12H9ClO
MOLECULAR WEIGHT: 204.65226
SMILES: C1=CC(=CC(=C1)O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 27836-94-8
CAS Name: 2,3,4-triiodobenzoic acid
OPENEYE Name: 2,3,4-triiodobenzoic acid
IUPAC Name: 2,3,4-triiodobenzoic acid
SYSTEMATIC NAME: 2,3,4-tris(iodanyl)benzoic acid
MOLECULAR FORMULA: C7H3I3O2
MOLECULAR WEIGHT: 499.81093
SMILES: C1=CC(=C(C(=C1C(=O)O)I)I)I
Structure:
CAS RN: 27746-70-9
CAS Name: 1-(3,5-dibromophenyl)pyrrolidine-2,5-dione
OPENEYE Name: 1-(3,5-dibromophenyl)pyrrolidine-2,5-dione
IUPAC Name: 1-(3,5-dibromophenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[3,5-bis(bromanyl)phenyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C10H7Br2NO2
MOLECULAR WEIGHT: 332.97608
SMILES: C1CC(=O)N(C1=O)C2=CC(=CC(=C2)Br)Br
Structure:
CAS RN: 27563-68-4
CAS Name: 1-(methylthio)hexadecane
OPENEYE Name: 1-methylsulfanylhexadecane
IUPAC Name: 1-methylsulfanylhexadecane
SYSTEMATIC NAME: 1-methylsulfanylhexadecane
MOLECULAR FORMULA: C17H36S
MOLECULAR WEIGHT: 272.53274
SMILES: CCCCCCCCCCCCCCCCSC
Structure:
CAS RN: 27557-84-2
CAS Name: 4-methoxy-2-methyl-2-butanol
OPENEYE Name: 4-methoxy-2-methyl-butan-2-ol
IUPAC Name: 4-methoxy-2-methylbutan-2-ol
SYSTEMATIC NAME: 4-methoxy-2-methyl-butan-2-ol
MOLECULAR FORMULA: C6H14O2
MOLECULAR WEIGHT: 118.17416
SMILES: CC(C)(CCOC)O
Structure:
CAS RN: 27550-73-8
CAS Name: 2-methyl-2-propenoic acid chloromethyl ester
OPENEYE Name: chloromethyl 2-methylprop-2-enoate
IUPAC Name: chloromethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: chloromethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C5H7ClO2
MOLECULAR WEIGHT: 134.56088
SMILES: CC(=C)C(=O)OCCl
Structure:
CAS RN: 27500-82-9
CAS Name: 4-(chloromethyl)-3-methoxy-9-xanthenone
OPENEYE Name: 4-(chloromethyl)-3-methoxy-xanthen-9-one
IUPAC Name: 4-(chloromethyl)-3-methoxyxanthen-9-one
SYSTEMATIC NAME: 4-(chloromethyl)-3-methoxy-xanthen-9-one
MOLECULAR FORMULA: C15H11ClO3
MOLECULAR WEIGHT: 274.69904
SMILES: COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3O2)CCl
Structure:
CAS RN: 27490-70-6
CAS Name: chloro-dimethyl-(2-methylpropyl)silane
OPENEYE Name: chloro-isobutyl-dimethyl-silane
IUPAC Name: chloro-dimethyl-(2-methylpropyl)silane
SYSTEMATIC NAME: chloranyl-dimethyl-(2-methylpropyl)silane
MOLECULAR FORMULA: C6H15ClSi
MOLECULAR WEIGHT: 150.7218
SMILES: CC(C)C[Si](C)(C)Cl
Structure:
CAS RN: 27479-35-2
CAS Name: hexanedioic acid bis(1-methylcyclohexyl) ester
OPENEYE Name: bis(1-methylcyclohexyl) hexanedioate
IUPAC Name: bis(1-methylcyclohexyl) hexanedioate
SYSTEMATIC NAME: bis(1-methylcyclohexyl) hexanedioate
MOLECULAR FORMULA: C20H34O4
MOLECULAR WEIGHT: 338.48156
SMILES: CC1(CCCCC1)OC(=O)CCCCC(=O)OC2(CCCCC2)C
Structure:
CAS RN: 27476-48-8
CAS Name: 5,6-dimethylheptane-1,6-diol
OPENEYE Name: 5,6-dimethylheptane-1,6-diol
IUPAC Name: 5,6-dimethylheptane-1,6-diol
SYSTEMATIC NAME: 5,6-dimethylheptane-1,6-diol
MOLECULAR FORMULA: C9H20O2
MOLECULAR WEIGHT: 160.2539
SMILES: CC(CCCCO)C(C)(C)O
Structure:
CAS RN: 27447-36-5
CAS Name: 2-(4-ethenylphenyl)-N,N-diethylethanamine
OPENEYE Name: N,N-diethyl-2-(4-vinylphenyl)ethanamine
IUPAC Name: 2-(4-ethenylphenyl)-N,N-diethylethanamine
SYSTEMATIC NAME: 2-(4-ethenylphenyl)-N,N-diethyl-ethanamine
MOLECULAR FORMULA: C14H21N
MOLECULAR WEIGHT: 203.32324
SMILES: CCN(CC)CCC1=CC=C(C=C1)C=C
Structure:
CAS RN: 59976-31-7
CAS Name: 2-(4-ethenylphenyl)-N,N-diethylethanamine
OPENEYE Name: N,N-diethyl-2-(4-vinylphenyl)ethanamine
IUPAC Name: 2-(4-ethenylphenyl)-N,N-diethylethanamine
SYSTEMATIC NAME: 2-(4-ethenylphenyl)-N,N-diethyl-ethanamine
MOLECULAR FORMULA: C14H21N
MOLECULAR WEIGHT: 203.32324
SMILES: CCN(CC)CCC1=CC=C(C=C1)C=C
Structure:
CAS RN: 27447-29-6
CAS Name: N-[5-[bis(2-cyanoethyl)amino]-2-(2,6-dichloro-4-nitrophenyl)azophenyl]acetamide
OPENEYE Name: N-[5-[bis(2-cyanoethyl)amino]-2-(2,6-dichloro-4-nitro-phenyl)azo-phenyl]acetamide
IUPAC Name: N-[5-[bis(2-cyanoethyl)amino]-2-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]acetamide
SYSTEMATIC NAME: N-[2-[[2,6-bis(chloranyl)-4-nitro-phenyl]diazenyl]-5-[bis(2-cyanoethyl)amino]phenyl]ethanamide
MOLECULAR FORMULA: C20H17Cl2N7O3
MOLECULAR WEIGHT: 474.30008
SMILES: CC(=O)NC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl
Structure:
CAS RN: 27432-39-9
CAS Name: 1-(2-methoxyphenyl)-2-butanone
OPENEYE Name: 1-(2-methoxyphenyl)butan-2-one
IUPAC Name: 1-(2-methoxyphenyl)butan-2-one
SYSTEMATIC NAME: 1-(2-methoxyphenyl)butan-2-one
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CCC(=O)CC1=CC=CC=C1OC
Structure:
CAS RN: 27428-84-8
CAS Name: 3-(trichloromethyl)benzoyl chloride
OPENEYE Name: 3-(trichloromethyl)benzoyl chloride
IUPAC Name: 3-(trichloromethyl)benzoyl chloride
SYSTEMATIC NAME: 3-(trichloromethyl)benzoyl chloride
MOLECULAR FORMULA: C8H4Cl4O
MOLECULAR WEIGHT: 257.92876
SMILES: C1=CC(=CC(=C1)C(Cl)(Cl)Cl)C(=O)Cl
Structure:
CAS RN: 27400-79-9
CAS Name: 1-heneicosene
OPENEYE Name: henicos-1-ene
IUPAC Name: henicos-1-ene
SYSTEMATIC NAME: henicos-1-ene
MOLECULAR FORMULA: C21H42
MOLECULAR WEIGHT: 294.55818
SMILES: CCCCCCCCCCCCCCCCCCCC=C
Structure:
CAS RN: 27394-99-6
CAS Name: N-(1-cyanoethyl)formamide
OPENEYE Name: N-(1-cyanoethyl)formamide
IUPAC Name: N-(1-cyanoethyl)formamide
SYSTEMATIC NAME: N-(1-cyanoethyl)methanamide
MOLECULAR FORMULA: C4H6N2O
MOLECULAR WEIGHT: 98.10324
SMILES: CC(C#N)NC=O
Structure:
CAS RN: 27339-25-9
CAS Name: 2-(3,4-dimethoxyphenyl)-5-oxo-2-propan-2-ylpentanenitrile
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-oxo-pentanenitrile
IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-oxo-2-propan-2-ylpentanenitrile
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-5-oxidanylidene-2-propan-2-yl-pentanenitrile
MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: CC(C)C(CCC=O)(C#N)C1=CC(=C(C=C1)OC)OC
Structure:
CAS RN: 27338-59-6
CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-2-butanone
OPENEYE Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]butan-2-one
IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]butan-2-one
SYSTEMATIC NAME: 4-[4-(4-fluorophenyl)piperazin-1-yl]butan-2-one
MOLECULAR FORMULA: C14H19FN2O
MOLECULAR WEIGHT: 250.311863
SMILES: CC(=O)CCN1CCN(CC1)C2=CC=C(C=C2)F
Structure:
CAS RN: 27243-08-9
CAS Name: 2,4,8-trimethyl-7-nonen-3-ol
OPENEYE Name: 2,4,8-trimethylnon-7-en-3-ol
IUPAC Name: 2,4,8-trimethylnon-7-en-3-ol
SYSTEMATIC NAME: 2,4,8-trimethylnon-7-en-3-ol
MOLECULAR FORMULA: C12H24O
MOLECULAR WEIGHT: 184.31836
SMILES: CC(C)C(C(C)CCC=C(C)C)O
Structure:
CAS RN: 27243-07-8
CAS Name: 4,8-dimethyl-7-nonen-3-ol
OPENEYE Name: 4,8-dimethylnon-7-en-3-ol
IUPAC Name: 4,8-dimethylnon-7-en-3-ol
SYSTEMATIC NAME: 4,8-dimethylnon-7-en-3-ol
MOLECULAR FORMULA: C11H22O
MOLECULAR WEIGHT: 170.29178
SMILES: CCC(C(C)CCC=C(C)C)O
Structure:
CAS RN: 27236-84-6
CAS Name: 1,1,3-triphenylbuta-1,3-dien-2-ylbenzene
OPENEYE Name: (1-benzhydrylidene-2-phenyl-allyl)benzene
IUPAC Name: 1,1,3-triphenylbuta-1,3-dien-2-ylbenzene
SYSTEMATIC NAME: 1,1,3-triphenylbuta-1,3-dien-2-ylbenzene
MOLECULAR FORMULA: C28H22
MOLECULAR WEIGHT: 358.47428
SMILES: C=C(C1=CC=CC=C1)C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 27182-51-0
CAS Name: N-(diaminomethylidene)decanamide
OPENEYE Name: N-(diaminomethylene)decanamide
IUPAC Name: N-(diaminomethylidene)decanamide
SYSTEMATIC NAME: N-[bis(azanyl)methylidene]decanamide
MOLECULAR FORMULA: C11H23N3O
MOLECULAR WEIGHT: 213.31982
SMILES: CCCCCCCCCC(=O)N=C(N)N
Structure:
CAS RN: 27173-16-6
CAS Name: N4-(2-methylphenyl)-N1-phenylbenzene-1,4-diamine
OPENEYE Name: N4-(o-tolyl)-N1-phenyl-benzene-1,4-diamine
IUPAC Name: 4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine
SYSTEMATIC NAME: N4-(2-methylphenyl)-N1-phenyl-benzene-1,4-diamine
MOLECULAR FORMULA: C19H18N2
MOLECULAR WEIGHT: 274.35962
SMILES: CC1=CC=CC=C1NC2=CC=C(C=C2)NC3=CC=CC=C3
Structure:
CAS RN: 27160-08-3
CAS Name: 4-(2-chloroethyl)-1,2-dimethoxybenzene
OPENEYE Name: 4-(2-chloroethyl)-1,2-dimethoxy-benzene
IUPAC Name: 4-(2-chloroethyl)-1,2-dimethoxybenzene
SYSTEMATIC NAME: 4-(2-chloroethyl)-1,2-dimethoxy-benzene
MOLECULAR FORMULA: C10H13ClO2
MOLECULAR WEIGHT: 200.66202
SMILES: COC1=C(C=C(C=C1)CCCl)OC
Structure:
CAS RN: 27137-86-6
CAS Name: trichloro-(2,3,4-trichlorophenyl)silane
OPENEYE Name: trichloro-(2,3,4-trichlorophenyl)silane
IUPAC Name: trichloro-(2,3,4-trichlorophenyl)silane
SYSTEMATIC NAME: tris(chloranyl)-[2,3,4-tris(chloranyl)phenyl]silane
MOLECULAR FORMULA: C6H2Cl6Si
MOLECULAR WEIGHT: 314.88358
SMILES: C1=CC(=C(C(=C1[Si](Cl)(Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 27122-63-0
CAS Name: 1-prop-2-enoxyethylbenzene
OPENEYE Name: 1-allyloxyethylbenzene
IUPAC Name: 1-prop-2-enoxyethylbenzene
SYSTEMATIC NAME: 1-prop-2-enoxyethylbenzene
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: CC(C1=CC=CC=C1)OCC=C
Structure:
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