CAS RN: 21298-22-6
CAS Name: N,N,N',N'-tetrafluoropropane-1,3-diamine
OPENEYE Name: N,N,N',N'-tetrafluoropropane-1,3-diamine
IUPAC Name: N,N,N',N'-tetrafluoropropane-1,3-diamine
SYSTEMATIC NAME: N,N,N',N'-tetrakis(fluoranyl)propane-1,3-diamine
MOLECULAR FORMULA: C3H6F4N2
MOLECULAR WEIGHT: 146.086753
SMILES: C(CN(F)F)CN(F)F
Structure:
CAS RN: 21295-50-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: ClOP
MOLECULAR WEIGHT: 82.426161
SMILES: O=PCl
Structure:
CAS RN: 21273-04-1
CAS Name: 3,3,5,5-tetradeuterio-1-cyclohexanol
OPENEYE Name: 3,3,5,5-tetradeuteriocyclohexanol
IUPAC Name: 3,3,5,5-tetradeuteriocyclohexan-1-ol
SYSTEMATIC NAME: 3,3,5,5-tetradeuteriocyclohexan-1-ol
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 104.183527
SMILES: [2H]C1(CC(CC(C1)([2H])[2H])O)[2H]
Structure:
CAS RN: 21271-15-8
CAS Name: 2,3,5,6,7,8-hexafluoroquinoxaline
OPENEYE Name: 2,3,5,6,7,8-hexafluoroquinoxaline
IUPAC Name: 2,3,5,6,7,8-hexafluoroquinoxaline
SYSTEMATIC NAME: 2,3,5,6,7,8-hexakis(fluoranyl)quinoxaline
MOLECULAR FORMULA: C8F6N2
MOLECULAR WEIGHT: 238.089419
SMILES: C12=C(C(=C(C(=C1F)F)F)F)N=C(C(=N2)F)F
Structure:
CAS RN: 21250-21-5
CAS Name: 1,3-dichloro-5-(sulfinylamino)benzene
OPENEYE Name: 1,3-dichloro-5-(sulfinylamino)benzene
IUPAC Name: 1,3-dichloro-5-(sulfinylamino)benzene
SYSTEMATIC NAME: 1,3-bis(chloranyl)-5-(sulfinylamino)benzene
MOLECULAR FORMULA: C6H3Cl2NOS
MOLECULAR WEIGHT: 208.06512
SMILES: C1=C(C=C(C=C1Cl)Cl)N=S=O
Structure:
CAS RN: 21219-23-8
CAS Name: 2-bromoacetic acid (2,3,4,5,6-pentachlorophenyl) ester
OPENEYE Name: (2,3,4,5,6-pentachlorophenyl) 2-bromoacetate
IUPAC Name: (2,3,4,5,6-pentachlorophenyl) 2-bromoacetate
SYSTEMATIC NAME: [2,3,4,5,6-pentakis(chloranyl)phenyl] 2-bromanylethanoate
MOLECULAR FORMULA: C8H2BrCl5O2
MOLECULAR WEIGHT: 387.26928
SMILES: C(C(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Br
Structure:
CAS RN: 21211-65-4
CAS Name: 2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole
OPENEYE Name: 2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole
IUPAC Name: 2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole
SYSTEMATIC NAME: 2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole
MOLECULAR FORMULA: C9H10N2
MOLECULAR WEIGHT: 146.1891
SMILES: C1=CNC(=C1)CC2=CC=CN2
Structure:
CAS RN: 21211-29-0
CAS Name: 3-chloro-1-benzothiophene 1,1-dioxide
OPENEYE Name: 3-chlorobenzothiophene 1,1-dioxide
IUPAC Name: 3-chloro-1-benzothiophene 1,1-dioxide
SYSTEMATIC NAME: 3-chloranyl-1-benzothiophene 1,1-dioxide
MOLECULAR FORMULA: C8H5ClO2S
MOLECULAR WEIGHT: 200.6421
SMILES: C1=CC=C2C(=C1)C(=CS2(=O)=O)Cl
Structure:
CAS RN: 21152-33-0
CAS Name: 3-tert-butyl-5-phenyl-1-cyclohexanol
OPENEYE Name: 3-tert-butyl-5-phenyl-cyclohexanol
IUPAC Name: 3-tert-butyl-5-phenylcyclohexan-1-ol
SYSTEMATIC NAME: 3-tert-butyl-5-phenyl-cyclohexan-1-ol
MOLECULAR FORMULA: C16H24O
MOLECULAR WEIGHT: 232.36116
SMILES: CC(C)(C)C1CC(CC(C1)O)C2=CC=CC=C2
Structure:
CAS RN: 21150-82-3
CAS Name: N,N'-dihexylhexanediamide
OPENEYE Name: N,N'-dihexylhexanediamide
IUPAC Name: N,N'-dihexylhexanediamide
SYSTEMATIC NAME: N,N'-dihexylhexanediamide
MOLECULAR FORMULA: C18H36N2O2
MOLECULAR WEIGHT: 312.49064
SMILES: CCCCCCNC(=O)CCCCC(=O)NCCCCCC
Structure:
CAS RN: 21145-78-8
CAS Name: 5-ethenylbicyclo[2.2.2]oct-2-ene
OPENEYE Name: 5-vinylbicyclo[2.2.2]oct-2-ene
IUPAC Name: 5-ethenylbicyclo[2.2.2]oct-2-ene
SYSTEMATIC NAME: 5-ethenylbicyclo[2.2.2]oct-2-ene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: C=CC1CC2CCC1C=C2
Structure:
CAS RN: 21145-79-9
CAS Name: 5-ethenylbicyclo[2.2.2]oct-2-ene
OPENEYE Name: 5-vinylbicyclo[2.2.2]oct-2-ene
IUPAC Name: 5-ethenylbicyclo[2.2.2]oct-2-ene
SYSTEMATIC NAME: 5-ethenylbicyclo[2.2.2]oct-2-ene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: C=CC1CC2CCC1C=C2
Structure:
CAS RN: 21134-96-3
CAS Name: 6-methyl-1,2,4-triazine
OPENEYE Name: 6-methyl-1,2,4-triazine
IUPAC Name: 6-methyl-1,2,4-triazine
SYSTEMATIC NAME: 6-methyl-1,2,4-triazine
MOLECULAR FORMULA: C4H5N3
MOLECULAR WEIGHT: 95.1026
SMILES: CC1=CN=CN=N1
Structure:
CAS RN: 21134-95-2
CAS Name: 5-methyl-1,2,4-triazine
OPENEYE Name: 5-methyl-1,2,4-triazine
IUPAC Name: 5-methyl-1,2,4-triazine
SYSTEMATIC NAME: 5-methyl-1,2,4-triazine
MOLECULAR FORMULA: C4H5N3
MOLECULAR WEIGHT: 95.1026
SMILES: CC1=CN=NC=N1
Structure:
CAS RN: 21134-90-7
CAS Name: 5,6-dimethyl-1,2,4-triazine
OPENEYE Name: 5,6-dimethyl-1,2,4-triazine
IUPAC Name: 5,6-dimethyl-1,2,4-triazine
SYSTEMATIC NAME: 5,6-dimethyl-1,2,4-triazine
MOLECULAR FORMULA: C5H7N3
MOLECULAR WEIGHT: 109.12918
SMILES: CC1=C(N=NC=N1)C
Structure:
CAS RN: 21113-36-0
CAS Name: 1-(3,4-dimethylphenyl)-3,4-dimethyl-2-nitrobenzene
OPENEYE Name: 1-(3,4-dimethylphenyl)-3,4-dimethyl-2-nitro-benzene
IUPAC Name: 1-(3,4-dimethylphenyl)-3,4-dimethyl-2-nitrobenzene
SYSTEMATIC NAME: 1-(3,4-dimethylphenyl)-3,4-dimethyl-2-nitro-benzene
MOLECULAR FORMULA: C16H17NO2
MOLECULAR WEIGHT: 255.31168
SMILES: CC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C)C)[N+](=O)[O-])C
Structure:
CAS RN: 21102-88-5
CAS Name: 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
OPENEYE Name: 1-methyldecalin-2-one
IUPAC Name: 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
SYSTEMATIC NAME: 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: CC1C2CCCCC2CCC1=O
Structure:
CAS RN: 74924-17-7
CAS Name: 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
OPENEYE Name: 1-methyldecalin-2-one
IUPAC Name: 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
SYSTEMATIC NAME: 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: CC1C2CCCCC2CCC1=O
Structure:
CAS RN: 21084-84-4
CAS Name: 5-phenyl-1,2,4-oxadiazol-3-one
OPENEYE Name: 5-phenyl-1,2,4-oxadiazol-3-one
IUPAC Name: 5-phenyl-1,2,4-oxadiazol-3-one
SYSTEMATIC NAME: 5-phenyl-1,2,4-oxadiazol-3-one
MOLECULAR FORMULA: C8H6N2O2
MOLECULAR WEIGHT: 162.14544
SMILES: C1=CC=C(C=C1)C2=NC(=O)NO2
Structure:
CAS RN: 21083-36-3
CAS Name: 7-thiabicyclo[4.2.0]octa-1,3,5-trien-8-one
OPENEYE Name: 7-thiabicyclo[4.2.0]octa-1,3,5-trien-8-one
IUPAC Name: 7-thiabicyclo[4.2.0]octa-1,3,5-trien-8-one
SYSTEMATIC NAME: 7-thiabicyclo[4.2.0]octa-1,3,5-trien-8-one
MOLECULAR FORMULA: C7H4OS
MOLECULAR WEIGHT: 136.17106
SMILES: C1=CC=C2C(=C1)C(=O)S2
Structure:
CAS RN: 21083-33-0
CAS Name: 6-(oxomethylidene)-1-cyclohexa-2,4-dienone
OPENEYE Name: 6-(oxomethylene)cyclohexa-2,4-dien-1-one
IUPAC Name: 6-(oxomethylidene)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6-(oxidanylidenemethylidene)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C7H4O2
MOLECULAR WEIGHT: 120.10546
SMILES: C1=CC(=C=O)C(=O)C=C1
Structure:
CAS RN: 21072-42-4
CAS Name: (4-phenylcyclohexyl)benzene
OPENEYE Name: (4-phenylcyclohexyl)benzene
IUPAC Name: (4-phenylcyclohexyl)benzene
SYSTEMATIC NAME: (4-phenylcyclohexyl)benzene
MOLECULAR FORMULA: C18H20
MOLECULAR WEIGHT: 236.3514
SMILES: C1CC(CCC1C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 21071-39-6
CAS Name: methanethioic acid S-ethyl ester
OPENEYE Name: S-ethyl methanethioate
IUPAC Name: S-ethyl methanethioate
SYSTEMATIC NAME: S-ethyl methanethioate
MOLECULAR FORMULA: C3H6OS
MOLECULAR WEIGHT: 90.14414
SMILES: CCSC=O
Structure:
CAS RN: 21059-09-6
CAS Name: 4-(3,5-dimethyl-2-oxocyclohexyl)-3-(2-hydroxyethyl)piperidine-2,6-dione
OPENEYE Name: 4-(3,5-dimethyl-2-oxo-cyclohexyl)-3-(2-hydroxyethyl)piperidine-2,6-dione
IUPAC Name: 4-(3,5-dimethyl-2-oxocyclohexyl)-3-(2-hydroxyethyl)piperidine-2,6-dione
SYSTEMATIC NAME: 4-(3,5-dimethyl-2-oxidanylidene-cyclohexyl)-3-(2-hydroxyethyl)piperidine-2,6-dione
MOLECULAR FORMULA: C15H23NO4
MOLECULAR WEIGHT: 281.34742
SMILES: CC1CC(C(=O)C(C1)C2CC(=O)NC(=O)C2CCO)C
Structure:
CAS RN: 21058-26-4
CAS Name: 2-methylpentane
OPENEYE Name: 2-methylpentane
IUPAC Name: 2-methylpentane
SYSTEMATIC NAME: 2-methylpentane
MOLECULAR FORMULA: C6H13
MOLECULAR WEIGHT: 85.16742
SMILES: CCC[C](C)C
Structure:
CAS RN: 21055-47-0
CAS Name: 2-isothiocyanato-4-(methylthio)butanoic acid methyl ester
OPENEYE Name: methyl 2-isothiocyanato-4-methylsulfanyl-butanoate
IUPAC Name: methyl 2-isothiocyanato-4-methylsulfanylbutanoate
SYSTEMATIC NAME: methyl 2-isothiocyanato-4-methylsulfanyl-butanoate
MOLECULAR FORMULA: C7H11NO2S2
MOLECULAR WEIGHT: 205.29774
SMILES: COC(=O)C(CCSC)N=C=S
Structure:
CAS RN: 21055-37-8
CAS Name: 2-isothiocyanatoacetic acid methyl ester
OPENEYE Name: methyl 2-isothiocyanatoacetate
IUPAC Name: methyl 2-isothiocyanatoacetate
SYSTEMATIC NAME: methyl 2-isothiocyanatoethanoate
MOLECULAR FORMULA: C4H5NO2S
MOLECULAR WEIGHT: 131.153
SMILES: COC(=O)CN=C=S
Structure:
CAS RN: 21036-96-4
CAS Name: 1,3-dipropylimidazolidine-2,4,5-trione
OPENEYE Name: 1,3-dipropylimidazolidine-2,4,5-trione
IUPAC Name: 1,3-dipropylimidazolidine-2,4,5-trione
SYSTEMATIC NAME: 1,3-dipropylimidazolidine-2,4,5-trione
MOLECULAR FORMULA: C9H14N2O3
MOLECULAR WEIGHT: 198.21906
SMILES: CCCN1C(=O)C(=O)N(C1=O)CCC
Structure:
CAS RN: 21035-65-4
CAS Name: 1,3-dimethyl-2-sulfanylideneimidazolidine-4,5-dione
OPENEYE Name: 1,3-dimethyl-2-thioxo-imidazolidine-4,5-dione
IUPAC Name: 1,3-dimethyl-2-sulfanylideneimidazolidine-4,5-dione
SYSTEMATIC NAME: 1,3-dimethyl-2-sulfanylidene-imidazolidine-4,5-dione
MOLECULAR FORMULA: C5H6N2O2S
MOLECULAR WEIGHT: 158.17834
SMILES: CN1C(=O)C(=O)N(C1=S)C
Structure:
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