CAS RN: 5302-88-5
CAS Name: [1,2-bis(propylsulfonyl)-3-indolizinyl]-(4-nitrophenyl)methanone
OPENEYE Name: [1,2-bis(propylsulfonyl)indolizin-3-yl]-(4-nitrophenyl)methanone
IUPAC Name: [1,2-bis(propylsulfonyl)indolizin-3-yl]-(4-nitrophenyl)methanone
SYSTEMATIC NAME: [1,2-bis(propylsulfonyl)indolizin-3-yl]-(4-nitrophenyl)methanone
MOLECULAR FORMULA: C21H22N2O7S2
MOLECULAR WEIGHT: 478.53858
SMILES: CCCS(=O)(=O)C1=C2C=CC=CN2C(=C1S(=O)(=O)CCC)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 3092-82-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H33FO6
MOLECULAR WEIGHT: 496.567123
SMILES: CC12CC(C3(C(C1CC4C2(OC(O4)(C)C5=CC=CC=C5)C(=O)CO)CCC6=CC(=O)C=CC63C)F)O
Structure:
CAS RN: 3303-55-7
CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-methylpentanoic acid
OPENEYE Name: 2-[(2-amino-3-phenyl-propanoyl)amino]-4-methyl-pentanoic acid
IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoic acid
SYSTEMATIC NAME: 2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C15H22N2O3
MOLECULAR WEIGHT: 278.34678
SMILES: CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N
Structure:
CAS RN: 6085-22-9
CAS Name: N-[2-methyl-5-(2-oxazolo[5,4-b]pyridinyl)phenyl]-2-(2-naphthalenyloxy)acetamide
OPENEYE Name: N-(2-methyl-5-oxazolo[5,4-b]pyridin-2-yl-phenyl)-2-(2-naphthyloxy)acetamide
IUPAC Name: N-[2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide
SYSTEMATIC NAME: N-[2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxy-ethanamide
MOLECULAR FORMULA: C25H19N3O3
MOLECULAR WEIGHT: 409.43666
SMILES: CC1=C(C=C(C=C1)C2=NC3=C(O2)N=CC=C3)NC(=O)COC4=CC5=CC=CC=C5C=C4
Structure:
CAS RN: 37063-35-7
CAS Name: sodium [4-(6-aminopurin-9-yl)-2-oxido-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
OPENEYE Name: sodium [4-(6-aminopurin-9-yl)-2-oxido-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
IUPAC Name: sodium [4-(6-aminopurin-9-yl)-2-oxido-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
SYSTEMATIC NAME: sodium [4-(6-aminopurin-9-yl)-2-oxidanidyl-2-oxidanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
MOLECULAR FORMULA: C10H11N5NaO6P
MOLECULAR WEIGHT: 351.187771
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C4C(C(O3)CO)OP(=O)(O4)[O-].[Na+]
Structure:
CAS RN: 22537-50-4
CAS Name: tin(4+)
OPENEYE Name: tin(4+)
IUPAC Name: tin(4+)
SYSTEMATIC NAME: tin(4+)
MOLECULAR FORMULA: Sn+4
MOLECULAR WEIGHT: 118.71
SMILES: [Sn+4]
Structure:
CAS RN: 256414-75-2
CAS Name: 5-[4-phenyl-5-(trifluoromethyl)-2-thiophenyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
OPENEYE Name: 5-[4-phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
IUPAC Name: 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
MOLECULAR FORMULA: C20H10F6N2OS
MOLECULAR WEIGHT: 440.361619
SMILES: C1=CC=C(C=C1)C2=C(SC(=C2)C3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 56601-89-9
CAS Name: 5-methyl-1-tetrazolamine
OPENEYE Name: 5-methyltetrazol-1-amine
IUPAC Name: 5-methyltetrazol-1-amine
SYSTEMATIC NAME: 5-methyl-1,2,3,4-tetrazol-1-amine
MOLECULAR FORMULA: C2H5N5
MOLECULAR WEIGHT: 99.0946
SMILES: CC1=NN=NN1N
Structure:
CAS RN: 112434-80-7
CAS Name: 1-(2,5-diethoxyphenyl)ethanone
OPENEYE Name: 1-(2,5-diethoxyphenyl)ethanone
IUPAC Name: 1-(2,5-diethoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(2,5-diethoxyphenyl)ethanone
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: CCOC1=CC(=C(C=C1)OCC)C(=O)C
Structure:
CAS RN: 51833-78-4
CAS Name: 1-[2-[[2-[[2-[[2-[[2-[(2-amino-3-carboxy-1-oxopropyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinecarboxy
OPENEYE Name: 1-[2-[[2-[[2-[[2-[[2-[(2-amino-3-carboxy-propanoyl)amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: 1-[2-[[2-[[2-[[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[2-[[2-[[2-[[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-c
MOLECULAR FORMULA: C41H62N12O11
MOLECULAR WEIGHT: 899.00478
SMILES: CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N
Structure:
CAS RN: 3440-99-1
CAS Name: 5-(3-bromophenyl)-2H-tetrazole
OPENEYE Name: 5-(3-bromophenyl)-2H-tetrazole
IUPAC Name: 5-(3-bromophenyl)-2H-tetrazole
SYSTEMATIC NAME: 5-(3-bromophenyl)-2H-1,2,3,4-tetrazole
MOLECULAR FORMULA: C7H5BrN4
MOLECULAR WEIGHT: 225.0454
SMILES: C1=CC(=CC(=C1)Br)C2=NNN=N2
Structure:
CAS RN: 61296-25-1
CAS Name: N,N-dimethyl-1,1-bis(prop-2-enoxy)methanamine
OPENEYE Name: 1,1-diallyloxy-N,N-dimethyl-methanamine
IUPAC Name: N,N-dimethyl-1,1-bis(prop-2-enoxy)methanamine
SYSTEMATIC NAME: N,N-dimethyl-1,1-bis(prop-2-enoxy)methanamine
MOLECULAR FORMULA: C9H17NO2
MOLECULAR WEIGHT: 171.23678
SMILES: CN(C)C(OCC=C)OCC=C
Structure:
CAS RN: 6828-42-8
CAS Name: 4-(3-carboxypropylamino)butanoic acid
OPENEYE Name: 4-(3-carboxypropylamino)butanoic acid
IUPAC Name: 4-(3-carboxypropylamino)butanoic acid
SYSTEMATIC NAME: 4-[(4-oxidanyl-4-oxidanylidene-butyl)amino]butanoic acid
MOLECULAR FORMULA: C8H15NO4
MOLECULAR WEIGHT: 189.209
SMILES: C(CC(=O)O)CNCCCC(=O)O
Structure:
CAS RN: 1194-18-9
CAS Name: cycloheptane-1,3-dione
OPENEYE Name: cycloheptane-1,3-dione
IUPAC Name: cycloheptane-1,3-dione
SYSTEMATIC NAME: cycloheptane-1,3-dione
MOLECULAR FORMULA: C7H10O2
MOLECULAR WEIGHT: 126.1531
SMILES: C1CCC(=O)CC(=O)C1
Structure:
CAS RN: 53855-47-3
CAS Name: 2-methyl-1H-indole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-methyl-1H-indole-3-carboxylate
IUPAC Name: ethyl 2-methyl-1H-indole-3-carboxylate
SYSTEMATIC NAME: ethyl 2-methyl-1H-indole-3-carboxylate
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: CCOC(=O)C1=C(NC2=CC=CC=C21)C
Structure:
CAS RN: 2741-12-0
CAS Name: 1,1-dimethyl-3-(2-methylphenyl)thiourea
OPENEYE Name: 1,1-dimethyl-3-(o-tolyl)thiourea
IUPAC Name: 1,1-dimethyl-3-(2-methylphenyl)thiourea
SYSTEMATIC NAME: 1,1-dimethyl-3-(2-methylphenyl)thiourea
MOLECULAR FORMULA: C10H14N2S
MOLECULAR WEIGHT: 194.29656
SMILES: CC1=CC=CC=C1NC(=S)N(C)C
Structure:
CAS RN: 151073-86-8
CAS Name: bromozinc(1+); ethenylbenzene
OPENEYE Name: bromozinc(1+); vinylbenzene
IUPAC Name: bromozinc(1+); ethenylbenzene
SYSTEMATIC NAME: bromanylzinc(1+); ethenylbenzene
MOLECULAR FORMULA: C8H7BrZn
MOLECULAR WEIGHT: 248.45418
SMILES: C=[C-]C1=CC=CC=C1.[Zn+]Br
Structure:
CAS RN: 34620-77-4
CAS Name: 2-[[6-[[6-[[6-[[4,5-dihydroxy-2-(hydroxymethyl)-6-[[4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-3-oxanyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-6-
OPENEYE Name: 2-[6-[6-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihydrox
IUPAC Name: 2-[6-[6-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxyme
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-[2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-b
MOLECULAR FORMULA: C36H62O31
MOLECULAR WEIGHT: 990.85888
SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)O)CO)CO)CO)CO)CO)O)O)O)O
Structure:
CAS RN: 6980-08-1
CAS Name: 4-chloro-3-nitro-2-pyridinamine
OPENEYE Name: 4-chloro-3-nitro-pyridin-2-amine
IUPAC Name: 4-chloro-3-nitropyridin-2-amine
SYSTEMATIC NAME: 4-chloranyl-3-nitro-pyridin-2-amine
MOLECULAR FORMULA: C5H4ClN3O2
MOLECULAR WEIGHT: 173.55716
SMILES: C1=CN=C(C(=C1Cl)[N+](=O)[O-])N
Structure:
CAS RN: 35853-45-3
CAS Name: 4-bromo-2,8-bis(trifluoromethyl)quinoline
OPENEYE Name: 4-bromo-2,8-bis(trifluoromethyl)quinoline
IUPAC Name: 4-bromo-2,8-bis(trifluoromethyl)quinoline
SYSTEMATIC NAME: 4-bromanyl-2,8-bis(trifluoromethyl)quinoline
MOLECULAR FORMULA: C11H4BrF6N
MOLECULAR WEIGHT: 344.050579
SMILES: C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2Br)C(F)(F)F
Structure:
CAS RN: 10026-01-4
CAS Name: tetrachloroosmium
OPENEYE Name: tetrachloroosmium
IUPAC Name: tetrachloroosmium
SYSTEMATIC NAME: tetrakis(chloranyl)osmium
MOLECULAR FORMULA: Cl4Os
MOLECULAR WEIGHT: 332.042
SMILES: Cl[Os](Cl)(Cl)Cl
Structure:
CAS RN: 87253-62-1
CAS Name: 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
OPENEYE Name: 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
IUPAC Name: 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SYSTEMATIC NAME: 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
MOLECULAR FORMULA: C8H7N4O2-
MOLECULAR WEIGHT: 191.16678
SMILES: CC1=CC(=NC2=NC(=NN12)C(=O)[O-])C
Structure:
CAS RN: 7669-65-0
CAS Name: 1-(2-amino-1-oxo-3-phenylpropyl)-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(2-amino-3-phenyl-propanoyl)pyrrolidine-2-carboxylic acid
IUPAC Name: 1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-(2-azanyl-3-phenyl-propanoyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C14H18N2O3
MOLECULAR WEIGHT: 262.30432
SMILES: C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)O
Structure:
CAS RN: 7446-81-3
CAS Name: sodium 2-propenoate
OPENEYE Name: sodium prop-2-enoate
IUPAC Name: sodium prop-2-enoate
SYSTEMATIC NAME: sodium prop-2-enoate
MOLECULAR FORMULA: C3H3NaO2
MOLECULAR WEIGHT: 94.04449
SMILES: C=CC(=O)[O-].[Na+]
Structure:
CAS RN: 100359-37-3
CAS Name: sodium 2-propenoate
OPENEYE Name: sodium prop-2-enoate
IUPAC Name: sodium prop-2-enoate
SYSTEMATIC NAME: sodium prop-2-enoate
MOLECULAR FORMULA: C3H3NaO2
MOLECULAR WEIGHT: 94.04449
SMILES: C=CC(=O)[O-].[Na+]
Structure:
CAS RN: 105287-10-3
CAS Name: sodium 2-propenoate
OPENEYE Name: sodium prop-2-enoate
IUPAC Name: sodium prop-2-enoate
SYSTEMATIC NAME: sodium prop-2-enoate
MOLECULAR FORMULA: C3H3NaO2
MOLECULAR WEIGHT: 94.04449
SMILES: C=CC(=O)[O-].[Na+]
Structure:
CAS RN: 111642-66-1
CAS Name: sodium 2-propenoate
OPENEYE Name: sodium prop-2-enoate
IUPAC Name: sodium prop-2-enoate
SYSTEMATIC NAME: sodium prop-2-enoate
MOLECULAR FORMULA: C3H3NaO2
MOLECULAR WEIGHT: 94.04449
SMILES: C=CC(=O)[O-].[Na+]
Structure:
CAS RN: 113536-69-9
CAS Name: sodium 2-propenoate
OPENEYE Name: sodium prop-2-enoate
IUPAC Name: sodium prop-2-enoate
SYSTEMATIC NAME: sodium prop-2-enoate
MOLECULAR FORMULA: C3H3NaO2
MOLECULAR WEIGHT: 94.04449
SMILES: C=CC(=O)[O-].[Na+]
Structure:
CAS RN: 114355-16-7
CAS Name: sodium 2-propenoate
OPENEYE Name: sodium prop-2-enoate
IUPAC Name: sodium prop-2-enoate
SYSTEMATIC NAME: sodium prop-2-enoate
MOLECULAR FORMULA: C3H3NaO2
MOLECULAR WEIGHT: 94.04449
SMILES: C=CC(=O)[O-].[Na+]
Structure:
CAS RN: 118215-91-1
CAS Name: sodium 2-propenoate
OPENEYE Name: sodium prop-2-enoate
IUPAC Name: sodium prop-2-enoate
SYSTEMATIC NAME: sodium prop-2-enoate
MOLECULAR FORMULA: C3H3NaO2
MOLECULAR WEIGHT: 94.04449
SMILES: C=CC(=O)[O-].[Na+]
Structure:
CAS RN: 123140-08-9
CAS Name: sodium 2-propenoate
OPENEYE Name: sodium prop-2-enoate
IUPAC Name: sodium prop-2-enoate
SYSTEMATIC NAME: sodium prop-2-enoate
MOLECULAR FORMULA: C3H3NaO2
MOLECULAR WEIGHT: 94.04449
SMILES: C=CC(=O)[O-].[Na+]
Structure:
CAS RN: 124740-94-9
CAS Name: sodium 2-propenoate
OPENEYE Name: sodium prop-2-enoate
IUPAC Name: sodium prop-2-enoate
SYSTEMATIC NAME: sodium prop-2-enoate
MOLECULAR FORMULA: C3H3NaO2
MOLECULAR WEIGHT: 94.04449
SMILES: C=CC(=O)[O-].[Na+]
Structure:
CAS RN: 126123-84-0
CAS Name: sodium 2-propenoate
OPENEYE Name: sodium prop-2-enoate
IUPAC Name: sodium prop-2-enoate
SYSTEMATIC NAME: sodium prop-2-enoate
MOLECULAR FORMULA: C3H3NaO2
MOLECULAR WEIGHT: 94.04449
SMILES: C=CC(=O)[O-].[Na+]
Structure:
CAS RN: 129979-04-0
CAS Name: sodium 2-propenoate
OPENEYE Name: sodium prop-2-enoate
IUPAC Name: sodium prop-2-enoate
SYSTEMATIC NAME: sodium prop-2-enoate
MOLECULAR FORMULA: C3H3NaO2
MOLECULAR WEIGHT: 94.04449
SMILES: C=CC(=O)[O-].[Na+]
Structure:
CAS RN: 135842-81-8
CAS Name: sodium 2-propenoate
OPENEYE Name: sodium prop-2-enoate
IUPAC Name: sodium prop-2-enoate
SYSTEMATIC NAME: sodium prop-2-enoate
MOLECULAR FORMULA: C3H3NaO2
MOLECULAR WEIGHT: 94.04449
SMILES: C=CC(=O)[O-].[Na+]
Structure:
CAS RN: 136303-34-9
CAS Name: sodium 2-propenoate
OPENEYE Name: sodium prop-2-enoate
IUPAC Name: sodium prop-2-enoate
SYSTEMATIC NAME: sodium prop-2-enoate
MOLECULAR FORMULA: C3H3NaO2
MOLECULAR WEIGHT: 94.04449
SMILES: C=CC(=O)[O-].[Na+]
Structure:
CAS RN: 136753-34-9
CAS Name: sodium 2-propenoate
OPENEYE Name: sodium prop-2-enoate
IUPAC Name: sodium prop-2-enoate
SYSTEMATIC NAME: sodium prop-2-enoate
MOLECULAR FORMULA: C3H3NaO2
MOLECULAR WEIGHT: 94.04449
SMILES: C=CC(=O)[O-].[Na+]
Structure:
CAS RN: 138961-78-1
CAS Name: sodium 2-propenoate
OPENEYE Name: sodium prop-2-enoate
IUPAC Name: sodium prop-2-enoate
SYSTEMATIC NAME: sodium prop-2-enoate
MOLECULAR FORMULA: C3H3NaO2
MOLECULAR WEIGHT: 94.04449
SMILES: C=CC(=O)[O-].[Na+]
Structure:
CAS RN: 147881-53-6
CAS Name: sodium 2-propenoate
OPENEYE Name: sodium prop-2-enoate
IUPAC Name: sodium prop-2-enoate
SYSTEMATIC NAME: sodium prop-2-enoate
MOLECULAR FORMULA: C3H3NaO2
MOLECULAR WEIGHT: 94.04449
SMILES: C=CC(=O)[O-].[Na+]
Structure:
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