CAS RN: 7651-60-7
CAS Name: 2-selenophenecarbonitrile
OPENEYE Name: selenophene-2-carbonitrile
IUPAC Name: selenophene-2-carbonitrile
SYSTEMATIC NAME: selenophene-2-carbonitrile
MOLECULAR FORMULA: C5H3NSe
MOLECULAR WEIGHT: 156.04402
SMILES: C1=C[Se]C(=C1)C#N
Structure:
CAS RN: 7647-57-6
CAS Name: spiro[2.5]oct-7-ene
OPENEYE Name: spiro[2.5]oct-7-ene
IUPAC Name: spiro[2.5]oct-7-ene
SYSTEMATIC NAME: spiro[2.5]oct-7-ene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C1CC=CC2(C1)CC2
Structure:
CAS RN: 7627-80-7
CAS Name: 3,4,5,6-tetrafluoropyridazine
OPENEYE Name: 3,4,5,6-tetrafluoropyridazine
IUPAC Name: 3,4,5,6-tetrafluoropyridazine
SYSTEMATIC NAME: 3,4,5,6-tetrakis(fluoranyl)pyridazine
MOLECULAR FORMULA: C4F4N2
MOLECULAR WEIGHT: 152.049813
SMILES: C1(=C(C(=NN=C1F)F)F)F
Structure:
CAS RN: 7624-74-0
CAS Name: 2-(2-methoxy-10-phenothiazinyl)-N,N-dimethyl-1-propanamine
OPENEYE Name: 2-(2-methoxyphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine
IUPAC Name: 2-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: 2-(2-methoxyphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C18H22N2OS
MOLECULAR WEIGHT: 314.44508
SMILES: CC(CN(C)C)N1C2=CC=CC=C2SC3=C1C=C(C=C3)OC
Structure:
CAS RN: 7623-11-2
CAS Name: 2-chlorobutanoyl chloride
OPENEYE Name: 2-chlorobutanoyl chloride
IUPAC Name: 2-chlorobutanoyl chloride
SYSTEMATIC NAME: 2-chloranylbutanoyl chloride
MOLECULAR FORMULA: C4H6Cl2O
MOLECULAR WEIGHT: 140.99584
SMILES: CCC(C(=O)Cl)Cl
Structure:
CAS RN: 7617-67-6
CAS Name: 1-bromo-2-(2-bromoethylsulfonyl)ethane
OPENEYE Name: 1-bromo-2-(2-bromoethylsulfonyl)ethane
IUPAC Name: 1-bromo-2-(2-bromoethylsulfonyl)ethane
SYSTEMATIC NAME: 1-bromanyl-2-(2-bromoethylsulfonyl)ethane
MOLECULAR FORMULA: C4H8Br2O2S
MOLECULAR WEIGHT: 279.97812
SMILES: C(CBr)S(=O)(=O)CCBr
Structure:
CAS RN: 7579-91-1
CAS Name: trichloro-(phenylthio)silane
OPENEYE Name: trichloro(phenylsulfanyl)silane
IUPAC Name: trichloro(phenylsulfanyl)silane
SYSTEMATIC NAME: tris(chloranyl)-phenylsulfanyl-silane
MOLECULAR FORMULA: C6H5Cl3SSi
MOLECULAR WEIGHT: 243.6134
SMILES: C1=CC=C(C=C1)S[Si](Cl)(Cl)Cl
Structure:
CAS RN: 7576-36-5
CAS Name: 2,3-diphenyl-1-cycloprop-2-enecarboxylic acid methyl ester
OPENEYE Name: methyl 2,3-diphenylcycloprop-2-ene-1-carboxylate
IUPAC Name: methyl 2,3-diphenylcycloprop-2-ene-1-carboxylate
SYSTEMATIC NAME: methyl 2,3-diphenylcycloprop-2-ene-1-carboxylate
MOLECULAR FORMULA: C17H14O2
MOLECULAR WEIGHT: 250.29186
SMILES: COC(=O)C1C(=C1C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 7567-63-7
CAS Name: 1,3,5-triethynylbenzene
OPENEYE Name: 1,3,5-triethynylbenzene
IUPAC Name: 1,3,5-triethynylbenzene
SYSTEMATIC NAME: 1,3,5-triethynylbenzene
MOLECULAR FORMULA: C12H6
MOLECULAR WEIGHT: 150.17604
SMILES: C#CC1=CC(=CC(=C1)C#C)C#C
Structure:
CAS RN: 7561-79-7
CAS Name: N,1-diphenyl-2-pyrrolidinimine
OPENEYE Name: N,1-diphenylpyrrolidin-2-imine
IUPAC Name: N,1-diphenylpyrrolidin-2-imine
SYSTEMATIC NAME: N,1-diphenylpyrrolidin-2-imine
MOLECULAR FORMULA: C16H16N2
MOLECULAR WEIGHT: 236.31164
SMILES: C1CC(=NC2=CC=CC=C2)N(C1)C3=CC=CC=C3
Structure:
CAS RN: 7560-59-0
CAS Name: 1-methylsulfonylbutane
OPENEYE Name: 1-methylsulfonylbutane
IUPAC Name: 1-methylsulfonylbutane
SYSTEMATIC NAME: 1-methylsulfonylbutane
MOLECULAR FORMULA: C5H12O2S
MOLECULAR WEIGHT: 136.21258
SMILES: CCCCS(=O)(=O)C
Structure:
CAS RN: 7559-42-4
CAS Name: 2-methylselenophene
OPENEYE Name: 2-methylselenophene
IUPAC Name: 2-methylselenophene
SYSTEMATIC NAME: 2-methylselenophene
MOLECULAR FORMULA: C5H6Se
MOLECULAR WEIGHT: 145.06114
SMILES: CC1=CC=C[Se]1
Structure:
CAS RN: 7549-83-9
CAS Name: N-[bis(dimethylamino)-difluorophosphoranyl]-N-methylmethanamine
OPENEYE Name: N-[bis(dimethylamino)-difluoro-$l^{5}-phosphanyl]-N-methyl-methanamine
IUPAC Name: N-[bis(dimethylamino)-difluoro-$l^{5}-phosphanyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[bis(dimethylamino)-bis(fluoranyl)-$l^{5}-phosphanyl]-N-methyl-methanamine
MOLECULAR FORMULA: C6H18F2N3P
MOLECULAR WEIGHT: 201.197787
SMILES: CN(C)P(N(C)C)(N(C)C)(F)F
Structure:
CAS RN: 7547-15-1
CAS Name: 1,2,3,4-tetrakis(trifluoromethyl)tetraarsetane
OPENEYE Name: 1,2,3,4-tetrakis(trifluoromethyl)tetraarsetane
IUPAC Name: 1,2,3,4-tetrakis(trifluoromethyl)tetraarsetane
SYSTEMATIC NAME: 1,2,3,4-tetrakis(trifluoromethyl)-1,2,3,4-tetraarsetane
MOLECULAR FORMULA: C4As4F12
MOLECULAR WEIGHT: 575.710038
SMILES: C(F)(F)(F)[As]1[As]([As]([As]1C(F)(F)F)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 7509-44-6
CAS Name: 10-diazonio-9-phenanthrenolate
OPENEYE Name: 10-diazoniophenanthren-9-olate
IUPAC Name: 10-diazoniophenanthren-9-olate
SYSTEMATIC NAME: 10-diazoniophenanthren-9-olate
MOLECULAR FORMULA: C14H8N2O
MOLECULAR WEIGHT: 220.22612
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2[N+]#N)[O-]
Structure:
CAS RN: 7509-11-7
CAS Name: 1,2-dimethoxy-4-methyl-5-nitrobenzene
OPENEYE Name: 1,2-dimethoxy-4-methyl-5-nitro-benzene
IUPAC Name: 1,2-dimethoxy-4-methyl-5-nitrobenzene
SYSTEMATIC NAME: 1,2-dimethoxy-4-methyl-5-nitro-benzene
MOLECULAR FORMULA: C9H11NO4
MOLECULAR WEIGHT: 197.18794
SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])OC)OC
Structure:
CAS RN: 7505-12-6
CAS Name: triacontanoic acid ethyl ester
OPENEYE Name: ethyl triacontanoate
IUPAC Name: ethyl triacontanoate
SYSTEMATIC NAME: ethyl triacontanoate
MOLECULAR FORMULA: C32H64O2
MOLECULAR WEIGHT: 480.84936
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC
Structure:
CAS RN: 7502-06-9
CAS Name: 4-hexadecoxyaniline
OPENEYE Name: 4-hexadecoxyaniline
IUPAC Name: 4-hexadecoxyaniline
SYSTEMATIC NAME: 4-hexadecoxyaniline
MOLECULAR FORMULA: C22H39NO
MOLECULAR WEIGHT: 333.55116
SMILES: CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)N
Structure:
CAS RN: 7498-54-6
CAS Name: 3-tert-butylbenzoic acid
OPENEYE Name: 3-tert-butylbenzoic acid
IUPAC Name: 3-tert-butylbenzoic acid
SYSTEMATIC NAME: 3-tert-butylbenzoic acid
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC(C)(C)C1=CC=CC(=C1)C(=O)O
Structure:
CAS RN: 7497-27-0
CAS Name: N-(2,6-dimethylphenyl)-2,2,2-trifluoroacetamide
OPENEYE Name: N-(2,6-dimethylphenyl)-2,2,2-trifluoro-acetamide
IUPAC Name: N-(2,6-dimethylphenyl)-2,2,2-trifluoroacetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2,2,2-tris(fluoranyl)ethanamide
MOLECULAR FORMULA: C10H10F3NO
MOLECULAR WEIGHT: 217.18771
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C(F)(F)F
Structure:
CAS RN: 88210-96-2
CAS Name: 5,6-dimethoxy-1H-indole-2-carboxylic acid
OPENEYE Name: 5,6-dimethoxy-1H-indole-2-carboxylic acid
IUPAC Name: 5,6-dimethoxy-1H-indole-2-carboxylic acid
SYSTEMATIC NAME: 5,6-dimethoxy-1H-indole-2-carboxylic acid
MOLECULAR FORMULA: C11H11NO4
MOLECULAR WEIGHT: 221.20934
SMILES: COC1=C(C=C2C(=C1)C=C(N2)C(=O)O)OC
Structure:
CAS RN: 7480-35-5
CAS Name: 1-amino-2,3-dihydro-1H-inden-2-ol
OPENEYE Name: 1-aminoindan-2-ol
IUPAC Name: 1-amino-2,3-dihydro-1H-inden-2-ol
SYSTEMATIC NAME: 1-azanyl-2,3-dihydro-1H-inden-2-ol
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: C1C(C(C2=CC=CC=C21)N)O
Structure:
CAS RN: 7477-73-8
CAS Name: 1,5-diphenyltetrazole
OPENEYE Name: 1,5-diphenyltetrazole
IUPAC Name: 1,5-diphenyltetrazole
SYSTEMATIC NAME: 1,5-diphenyl-1,2,3,4-tetrazole
MOLECULAR FORMULA: C13H10N4
MOLECULAR WEIGHT: 222.2453
SMILES: C1=CC=C(C=C1)C2=NN=NN2C3=CC=CC=C3
Structure:
CAS RN: 7476-66-6
CAS Name: 2-chloro-2-phenylacetic acid methyl ester
OPENEYE Name: methyl 2-chloro-2-phenyl-acetate
IUPAC Name: methyl 2-chloro-2-phenylacetate
SYSTEMATIC NAME: methyl 2-chloranyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C9H9ClO2
MOLECULAR WEIGHT: 184.61956
SMILES: COC(=O)C(C1=CC=CC=C1)Cl
Structure:
CAS RN: 7472-54-0
CAS Name: N-(4-methoxyphenyl)benzamide
OPENEYE Name: N-(4-methoxyphenyl)benzamide
IUPAC Name: N-(4-methoxyphenyl)benzamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)benzamide
MOLECULAR FORMULA: C14H13NO2
MOLECULAR WEIGHT: 227.25852
SMILES: COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 7448-04-6
CAS Name: 3-(2-dodecoxyethoxy)propanoic acid methyl ester
OPENEYE Name: methyl 3-(2-dodecoxyethoxy)propanoate
IUPAC Name: methyl 3-(2-dodecoxyethoxy)propanoate
SYSTEMATIC NAME: methyl 3-(2-dodecoxyethoxy)propanoate
MOLECULAR FORMULA: C18H36O4
MOLECULAR WEIGHT: 316.47604
SMILES: CCCCCCCCCCCCOCCOCCC(=O)OC
Structure:
CAS RN: 7446-94-8
CAS Name: zinc butane
OPENEYE Name: zinc butane
IUPAC Name: zinc butane
SYSTEMATIC NAME: zinc butane
MOLECULAR FORMULA: C8H18Zn
MOLECULAR WEIGHT: 179.63752
SMILES: CC[CH-]C.CC[CH-]C.[Zn+2]
Structure:
CAS RN: 7445-60-5
CAS Name: 3,3,3-trifluoro-2-(trifluoromethyl)-1-propene-1-thione
OPENEYE Name: 3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene-1-thione
IUPAC Name: 3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene-1-thione
SYSTEMATIC NAME: 3,3,3-tris(fluoranyl)-2-(trifluoromethyl)prop-1-ene-1-thione
MOLECULAR FORMULA: C4F6S
MOLECULAR WEIGHT: 194.098219
SMILES: C(=C(C(F)(F)F)C(F)(F)F)=S
Structure:
CAS RN: 7439-10-3
CAS Name: 1-(tert-butylthio)-4-methylbenzene
OPENEYE Name: 1-tert-butylsulfanyl-4-methyl-benzene
IUPAC Name: 1-tert-butylsulfanyl-4-methylbenzene
SYSTEMATIC NAME: 1-tert-butylsulfanyl-4-methyl-benzene
MOLECULAR FORMULA: C11H16S
MOLECULAR WEIGHT: 180.30974
SMILES: CC1=CC=C(C=C1)SC(C)(C)C
Structure:
CAS RN: 7439-02-3
CAS Name: 3-decoxy-2-ethoxypropanoic acid methyl ester
OPENEYE Name: methyl 3-decoxy-2-ethoxy-propanoate
IUPAC Name: methyl 3-decoxy-2-ethoxypropanoate
SYSTEMATIC NAME: methyl 3-decoxy-2-ethoxy-propanoate
MOLECULAR FORMULA: C16H32O4
MOLECULAR WEIGHT: 288.42288
SMILES: CCCCCCCCCCOCC(C(=O)OC)OCC
Structure:
CAS RN: 7438-09-7
CAS Name: N-methyltetradecanamide
OPENEYE Name: N-methyltetradecanamide
IUPAC Name: N-methyltetradecanamide
SYSTEMATIC NAME: N-methyltetradecanamide
MOLECULAR FORMULA: C15H31NO
MOLECULAR WEIGHT: 241.41274
SMILES: CCCCCCCCCCCCCC(=O)NC
Structure:
CAS RN: 7438-05-3
CAS Name: 1-azidooctane
OPENEYE Name: 1-azidooctane
IUPAC Name: 1-azidooctane
SYSTEMATIC NAME: 1-azidooctane
MOLECULAR FORMULA: C8H17N3
MOLECULAR WEIGHT: 155.24068
SMILES: CCCCCCCCN=[N+]=[N-]
Structure:
CAS RN: 7433-79-6
CAS Name: 2-(methylthio)naphthalene
OPENEYE Name: 2-methylsulfanylnaphthalene
IUPAC Name: 2-methylsulfanylnaphthalene
SYSTEMATIC NAME: 2-methylsulfanylnaphthalene
MOLECULAR FORMULA: C11H10S
MOLECULAR WEIGHT: 174.2621
SMILES: CSC1=CC2=CC=CC=C2C=C1
Structure:
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