CAS RN: 49597-05-9
CAS Name: 1-propene-1,1,3,3-tetracarboxylic acid tetraethyl ester
OPENEYE Name: tetraethyl prop-1-ene-1,1,3,3-tetracarboxylate
IUPAC Name: tetraethyl prop-1-ene-1,1,3,3-tetracarboxylate
SYSTEMATIC NAME: tetraethyl prop-1-ene-1,1,3,3-tetracarboxylate
MOLECULAR FORMULA: C15H22O8
MOLECULAR WEIGHT: 330.33038
SMILES: CCOC(=O)C(C=C(C(=O)OCC)C(=O)OCC)C(=O)OCC
Structure:
CAS RN: 51787-20-3
CAS Name: 4-(benzenesulfinyl)-N,N-dimethylaniline
OPENEYE Name: 4-(benzenesulfinyl)-N,N-dimethyl-aniline
IUPAC Name: 4-(benzenesulfinyl)-N,N-dimethylaniline
SYSTEMATIC NAME: N,N-dimethyl-4-(phenylsulfinyl)aniline
MOLECULAR FORMULA: C14H15NOS
MOLECULAR WEIGHT: 245.34
SMILES: CN(C)C1=CC=C(C=C1)S(=O)C2=CC=CC=C2
Structure:
CAS RN: 15601-47-5
CAS Name: 4-(2-furanylmethylidene)-2-phenyl-5-oxazolone
OPENEYE Name: 4-(2-furylmethylene)-2-phenyl-oxazol-5-one
IUPAC Name: 4-(furan-2-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
SYSTEMATIC NAME: 4-(furan-2-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C14H9NO3
MOLECULAR WEIGHT: 239.22616
SMILES: C1=CC=C(C=C1)C2=NC(=CC3=CC=CO3)C(=O)O2
Structure:
CAS RN: 19016-75-2
CAS Name: 7-methyl-7-tridecanol
OPENEYE Name: 7-methyltridecan-7-ol
IUPAC Name: 7-methyltridecan-7-ol
SYSTEMATIC NAME: 7-methyltridecan-7-ol
MOLECULAR FORMULA: C14H30O
MOLECULAR WEIGHT: 214.3874
SMILES: CCCCCCC(C)(CCCCCC)O
Structure:
CAS RN: 5537-97-3
CAS Name: 2-oxo-2-phenylethane-1,1,1-tricarboxylic acid trimethyl ester
OPENEYE Name: trimethyl 2-oxo-2-phenyl-ethane-1,1,1-tricarboxylate
IUPAC Name: trimethyl 2-oxo-2-phenylethane-1,1,1-tricarboxylate
SYSTEMATIC NAME: trimethyl 2-oxidanylidene-2-phenyl-ethane-1,1,1-tricarboxylate
MOLECULAR FORMULA: C14H14O7
MOLECULAR WEIGHT: 294.25676
SMILES: COC(=O)C(C(=O)C1=CC=CC=C1)(C(=O)OC)C(=O)OC
Structure:
CAS RN: 92110-53-7
CAS Name: N-[(2,6-dimethyl-4-oxanylidene)amino]-2,4-dinitroaniline
OPENEYE Name: N-[(2,6-dimethyltetrahydropyran-4-ylidene)amino]-2,4-dinitro-aniline
IUPAC Name: N-[(2,6-dimethyloxan-4-ylidene)amino]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[(2,6-dimethyloxan-4-ylidene)amino]-2,4-dinitro-aniline
MOLECULAR FORMULA: C13H16N4O5
MOLECULAR WEIGHT: 308.28994
SMILES: CC1CC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC(O1)C
Structure:
CAS RN: 2394-05-0
CAS Name: 1-nitro-4-[(4-nitrophenyl)sulfonylmethylsulfonyl]benzene
OPENEYE Name: 1-nitro-4-[(4-nitrophenyl)sulfonylmethylsulfonyl]benzene
IUPAC Name: 1-nitro-4-[(4-nitrophenyl)sulfonylmethylsulfonyl]benzene
SYSTEMATIC NAME: 1-nitro-4-[(4-nitrophenyl)sulfonylmethylsulfonyl]benzene
MOLECULAR FORMULA: C13H10N2O8S2
MOLECULAR WEIGHT: 386.3571
SMILES: C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 16876-59-8
CAS Name: 2-[tris(propan-2-ylthio)methylthio]propane
OPENEYE Name: 2-[tris(isopropylsulfanyl)methylsulfanyl]propane
IUPAC Name: 2-[tris(propan-2-ylsulfanyl)methylsulfanyl]propane
SYSTEMATIC NAME: 2-[tris(propan-2-ylsulfanyl)methylsulfanyl]propane
MOLECULAR FORMULA: C13H28S4
MOLECULAR WEIGHT: 312.62142
SMILES: CC(C)SC(SC(C)C)(SC(C)C)SC(C)C
Structure:
CAS RN: 1576-44-9
CAS Name: 4-nitro-N-phenylbenzenesulfonamide
OPENEYE Name: 4-nitro-N-phenyl-benzenesulfonamide
IUPAC Name: 4-nitro-N-phenylbenzenesulfonamide
SYSTEMATIC NAME: 4-nitro-N-phenyl-benzenesulfonamide
MOLECULAR FORMULA: C12H10N2O4S
MOLECULAR WEIGHT: 278.2838
SMILES: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 13330-29-5
CAS Name: 4-butyl-N,N-dimethylaniline
OPENEYE Name: 4-butyl-N,N-dimethyl-aniline
IUPAC Name: 4-butyl-N,N-dimethylaniline
SYSTEMATIC NAME: 4-butyl-N,N-dimethyl-aniline
MOLECULAR FORMULA: C12H19N
MOLECULAR WEIGHT: 177.28596
SMILES: CCCCC1=CC=C(C=C1)N(C)C
Structure:
CAS RN: 20930-37-4
CAS Name: 2,2,3,6,6-pentamethylheptane-3,5-diol
OPENEYE Name: 2,2,3,6,6-pentamethylheptane-3,5-diol
IUPAC Name: 2,2,3,6,6-pentamethylheptane-3,5-diol
SYSTEMATIC NAME: 2,2,3,6,6-pentamethylheptane-3,5-diol
MOLECULAR FORMULA: C12H26O2
MOLECULAR WEIGHT: 202.33364
SMILES: CC(C)(C)C(CC(C)(C(C)(C)C)O)O
Structure:
CAS RN: 3509-02-2
CAS Name: 2-cyano-2-prop-2-enyl-4-pentenoic acid ethyl ester
OPENEYE Name: ethyl 2-allyl-2-cyano-pent-4-enoate
IUPAC Name: ethyl 2-cyano-2-prop-2-enylpent-4-enoate
SYSTEMATIC NAME: ethyl 2-cyano-2-prop-2-enyl-pent-4-enoate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CCOC(=O)C(CC=C)(CC=C)C#N
Structure:
CAS RN: 30590-59-1
CAS Name: 2,2,5-trimethyl-3H-benzofuran
OPENEYE Name: 2,2,5-trimethyl-3H-benzofuran
IUPAC Name: 2,2,5-trimethyl-3H-1-benzofuran
SYSTEMATIC NAME: 2,2,5-trimethyl-3H-1-benzofuran
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: CC1=CC2=C(C=C1)OC(C2)(C)C
Structure:
CAS RN: 68854-18-2
CAS Name: 2,4,6-trioxoheptanedioic acid diethyl ester
OPENEYE Name: diethyl 2,4,6-trioxoheptanedioate
IUPAC Name: diethyl 2,4,6-trioxoheptanedioate
SYSTEMATIC NAME: diethyl 2,4,6-tris(oxidanylidene)heptanedioate
MOLECULAR FORMULA: C11H14O7
MOLECULAR WEIGHT: 258.22466
SMILES: CCOC(=O)C(=O)CC(=O)CC(=O)C(=O)OCC
Structure:
CAS RN: 15069-48-4
CAS Name: 7-bromo-4-methyl-2,3-dihydroinden-1-one
OPENEYE Name: 7-bromo-4-methyl-indan-1-one
IUPAC Name: 7-bromo-4-methyl-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 7-bromanyl-4-methyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C10H9BrO
MOLECULAR WEIGHT: 225.08186
SMILES: CC1=C2CCC(=O)C2=C(C=C1)Br
Structure:
CAS RN: 18285-95-5
CAS Name: 5-(4-carboxybutyldiselanyl)pentanoic acid
OPENEYE Name: 5-(4-carboxybutyldiselanyl)pentanoic acid
IUPAC Name: 5-(4-carboxybutyldiselanyl)pentanoic acid
SYSTEMATIC NAME: 5-[(5-oxidanyl-5-oxidanylidene-pentyl)diselanyl]pentanoic acid
MOLECULAR FORMULA: C10H18O4Se2
MOLECULAR WEIGHT: 360.16752
SMILES: C(CC[Se][Se]CCCCC(=O)O)CC(=O)O
Structure:
CAS RN: 73318-99-7
CAS Name: 1-[4-(ethylamino)phenyl]ethanone
OPENEYE Name: 1-[4-(ethylamino)phenyl]ethanone
IUPAC Name: 1-[4-(ethylamino)phenyl]ethanone
SYSTEMATIC NAME: 1-[4-(ethylamino)phenyl]ethanone
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CCNC1=CC=C(C=C1)C(=O)C
Structure:
CAS RN: 10506-95-3
CAS Name: N-(1,3-dioxo-5-isoindolyl)acetamide
OPENEYE Name: N-(1,3-dioxoisoindolin-5-yl)acetamide
IUPAC Name: N-(1,3-dioxoisoindol-5-yl)acetamide
SYSTEMATIC NAME: N-[1,3-bis(oxidanylidene)isoindol-5-yl]ethanamide
MOLECULAR FORMULA: C10H8N2O3
MOLECULAR WEIGHT: 204.18212
SMILES: CC(=O)NC1=CC2=C(C=C1)C(=O)NC2=O
Structure:
CAS RN: 38307-42-5
CAS Name: 2,4-dinitro-1-(prop-2-enylthio)benzene
OPENEYE Name: 1-allylsulfanyl-2,4-dinitro-benzene
IUPAC Name: 2,4-dinitro-1-prop-2-enylsulfanylbenzene
SYSTEMATIC NAME: 2,4-dinitro-1-prop-2-enylsulfanyl-benzene
MOLECULAR FORMULA: C9H8N2O4S
MOLECULAR WEIGHT: 240.23582
SMILES: C=CCSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 71053-08-2
CAS Name: 3-cyclohexylthiolane 1,1-dioxide
OPENEYE Name: 3-cyclohexylthiolane 1,1-dioxide
IUPAC Name: 3-cyclohexylthiolane 1,1-dioxide
SYSTEMATIC NAME: 3-cyclohexylthiolane 1,1-dioxide
MOLECULAR FORMULA: C10H18O2S
MOLECULAR WEIGHT: 202.31372
SMILES: C1CCC(CC1)C2CCS(=O)(=O)C2
Structure:
CAS RN: 69363-91-3
CAS Name: 2,2-bis(methylthio)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2,2-bis(methylsulfanyl)propanedioate
IUPAC Name: diethyl 2,2-bis(methylsulfanyl)propanedioate
SYSTEMATIC NAME: diethyl 2,2-bis(methylsulfanyl)propanedioate
MOLECULAR FORMULA: C9H16O4S2
MOLECULAR WEIGHT: 252.35094
SMILES: CCOC(=O)C(C(=O)OCC)(SC)SC
Structure:
CAS RN: 705-65-7
CAS Name: N-phenyl-1,3-dithiolan-2-imine
OPENEYE Name: N-phenyl-1,3-dithiolan-2-imine
IUPAC Name: N-phenyl-1,3-dithiolan-2-imine
SYSTEMATIC NAME: N-phenyl-1,3-dithiolan-2-imine
MOLECULAR FORMULA: C9H9NS2
MOLECULAR WEIGHT: 195.30446
SMILES: C1CSC(=NC2=CC=CC=C2)S1
Structure:
CAS RN: 56403-26-0
CAS Name: 1-bromo-2,5-bis(chloromethyl)-4-methylbenzene
OPENEYE Name: 1-bromo-2,5-bis(chloromethyl)-4-methyl-benzene
IUPAC Name: 1-bromo-2,5-bis(chloromethyl)-4-methylbenzene
SYSTEMATIC NAME: 1-bromanyl-2,5-bis(chloromethyl)-4-methyl-benzene
MOLECULAR FORMULA: C9H9BrCl2
MOLECULAR WEIGHT: 267.97776
SMILES: CC1=CC(=C(C=C1CCl)Br)CCl
Structure:
CAS RN: 16752-16-2
CAS Name: 4-amino-2,6-dimethylbenzoic acid
OPENEYE Name: 4-amino-2,6-dimethyl-benzoic acid
IUPAC Name: 4-amino-2,6-dimethylbenzoic acid
SYSTEMATIC NAME: 4-azanyl-2,6-dimethyl-benzoic acid
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: CC1=CC(=CC(=C1C(=O)O)C)N
Structure:
CAS RN: 34784-05-9
CAS Name: 6-bromoisoquinoline
OPENEYE Name: 6-bromoisoquinoline
IUPAC Name: 6-bromoisoquinoline
SYSTEMATIC NAME: 6-bromanylisoquinoline
MOLECULAR FORMULA: C9H6BrN
MOLECULAR WEIGHT: 208.05464
SMILES: C1=CC2=C(C=CN=C2)C=C1Br
Structure:
CAS RN: 59057-35-1
CAS Name: 2,4,6-trimethylbenzenesulfinic acid
OPENEYE Name: 2,4,6-trimethylbenzenesulfinic acid
IUPAC Name: 2,4,6-trimethylbenzenesulfinic acid
SYSTEMATIC NAME: 2,4,6-trimethylbenzenesulfinic acid
MOLECULAR FORMULA: C9H12O2S
MOLECULAR WEIGHT: 184.25538
SMILES: CC1=CC(=C(C(=C1)C)S(=O)O)C
Structure:
CAS RN: 2471-91-2
CAS Name: 1,3-dihydro-2-benzothiophene 2,2-dioxide
OPENEYE Name: 1,3-dihydro-2-benzothiophene 2,2-dioxide
IUPAC Name: 1,3-dihydro-2-benzothiophene 2,2-dioxide
SYSTEMATIC NAME: 1,3-dihydro-2-benzothiophene 2,2-dioxide
MOLECULAR FORMULA: C8H8O2S
MOLECULAR WEIGHT: 168.21292
SMILES: C1C2=CC=CC=C2CS1(=O)=O
Structure:
CAS RN: 64289-52-7
CAS Name: 2-amino-5,5-diethyl-1H-pyrimidine-4,6-dione
OPENEYE Name: 2-amino-5,5-diethyl-1H-pyrimidine-4,6-dione
IUPAC Name: 2-amino-5,5-diethyl-1H-pyrimidine-4,6-dione
SYSTEMATIC NAME: 2-azanyl-5,5-diethyl-1H-pyrimidine-4,6-dione
MOLECULAR FORMULA: C8H13N3O2
MOLECULAR WEIGHT: 183.20772
SMILES: CCC1(C(=O)NC(=NC1=O)N)CC
Structure:
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