CAS RN: 5325-60-0
CAS Name: N-prop-2-enylcarbamic acid ethyl ester
OPENEYE Name: ethyl N-allylcarbamate
IUPAC Name: ethyl N-prop-2-enylcarbamate
SYSTEMATIC NAME: ethyl N-prop-2-enylcarbamate
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: CCOC(=O)NCC=C
Structure:
CAS RN: 5324-72-1
CAS Name: 2-methyl-2,3,3-trinitrobutane
OPENEYE Name: 2-methyl-2,3,3-trinitro-butane
IUPAC Name: 2-methyl-2,3,3-trinitrobutane
SYSTEMATIC NAME: 2-methyl-2,3,3-trinitro-butane
MOLECULAR FORMULA: C5H9N3O6
MOLECULAR WEIGHT: 207.14146
SMILES: CC(C)(C(C)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 5324-68-5
CAS Name: 1,3,5-trichloro-2,4,6-trimethylbenzene
OPENEYE Name: 1,3,5-trichloro-2,4,6-trimethyl-benzene
IUPAC Name: 1,3,5-trichloro-2,4,6-trimethylbenzene
SYSTEMATIC NAME: 1,3,5-tris(chloranyl)-2,4,6-trimethyl-benzene
MOLECULAR FORMULA: C9H9Cl3
MOLECULAR WEIGHT: 223.52676
SMILES: CC1=C(C(=C(C(=C1Cl)C)Cl)C)Cl
Structure:
CAS RN: 5316-79-0
CAS Name: 3,4-dimethyl-2-thiazolethione
OPENEYE Name: 3,4-dimethylthiazole-2-thione
IUPAC Name: 3,4-dimethyl-1,3-thiazole-2-thione
SYSTEMATIC NAME: 3,4-dimethyl-1,3-thiazole-2-thione
MOLECULAR FORMULA: C5H7NS2
MOLECULAR WEIGHT: 145.24578
SMILES: CC1=CSC(=S)N1C
Structure:
CAS RN: 5314-85-2
CAS Name: 2,4,6-trimethyl-1,3,5,2,4,6-triazatriborinane
OPENEYE Name: 2,4,6-trimethyl-1,3,5,2,4,6-triazatriborinane
IUPAC Name: 2,4,6-trimethyl-1,3,5,2,4,6-triazatriborinane
SYSTEMATIC NAME: 2,4,6-trimethyl-1,3,5,2,4,6-triazatriborinane
MOLECULAR FORMULA: C3H12B3N3
MOLECULAR WEIGHT: 122.58048
SMILES: B1(NB(NB(N1)C)C)C
Structure:
CAS RN: 5314-83-0
CAS Name: chloro(diethyl)borane
OPENEYE Name: chloro(diethyl)borane
IUPAC Name: chloro(diethyl)borane
SYSTEMATIC NAME: chloranyl(diethyl)borane
MOLECULAR FORMULA: C4H10BCl
MOLECULAR WEIGHT: 104.3862
SMILES: B(CC)(CC)Cl
Structure:
CAS RN: 5304-21-2
CAS Name: 6-bromo-2-methyl-1,3-benzothiazole
OPENEYE Name: 6-bromo-2-methyl-1,3-benzothiazole
IUPAC Name: 6-bromo-2-methyl-1,3-benzothiazole
SYSTEMATIC NAME: 6-bromanyl-2-methyl-1,3-benzothiazole
MOLECULAR FORMULA: C8H6BrNS
MOLECULAR WEIGHT: 228.10894
SMILES: CC1=NC2=C(S1)C=C(C=C2)Br
Structure:
CAS RN: 5296-48-0
CAS Name: 4,4-dichlorocyclopentene
OPENEYE Name: 4,4-dichlorocyclopentene
IUPAC Name: 4,4-dichlorocyclopentene
SYSTEMATIC NAME: 4,4-bis(chloranyl)cyclopentene
MOLECULAR FORMULA: C5H6Cl2
MOLECULAR WEIGHT: 137.00714
SMILES: C1C=CCC1(Cl)Cl
Structure:
CAS RN: 5291-90-7
CAS Name: 3,4-dimethylenecyclobutene
OPENEYE Name: 3,4-dimethylenecyclobutene
IUPAC Name: 3,4-dimethylidenecyclobutene
SYSTEMATIC NAME: 3,4-dimethylidenecyclobutene
MOLECULAR FORMULA: C6H6
MOLECULAR WEIGHT: 78.11184
SMILES: C=C1C=CC1=C
Structure:
CAS RN: 5261-65-4
CAS Name: 2-methyl-1-azabicyclo[2.2.2]octane
OPENEYE Name: 2-methylquinuclidine
IUPAC Name: 2-methyl-1-azabicyclo[2.2.2]octane
SYSTEMATIC NAME: 2-methyl-1-azabicyclo[2.2.2]octane
MOLECULAR FORMULA: C8H15N
MOLECULAR WEIGHT: 125.2114
SMILES: CC1CC2CCN1CC2
Structure:
CAS RN: 5261-50-7
CAS Name: 1-(chloromethyl)-4-methylnaphthalene
OPENEYE Name: 1-(chloromethyl)-4-methyl-naphthalene
IUPAC Name: 1-(chloromethyl)-4-methylnaphthalene
SYSTEMATIC NAME: 1-(chloromethyl)-4-methyl-naphthalene
MOLECULAR FORMULA: C12H11Cl
MOLECULAR WEIGHT: 190.66874
SMILES: CC1=CC=C(C2=CC=CC=C12)CCl
Structure:
CAS RN: 5242-57-9
CAS Name: 5-isothiazolecarboxaldehyde
OPENEYE Name: isothiazole-5-carbaldehyde
IUPAC Name: 1,2-thiazole-5-carbaldehyde
SYSTEMATIC NAME: 1,2-thiazole-5-carbaldehyde
MOLECULAR FORMULA: C4H3NOS
MOLECULAR WEIGHT: 113.13772
SMILES: C1=C(SN=C1)C=O
Structure:
CAS RN: 5240-87-9
CAS Name: bicyclo[4.2.1]nona-2,4,7-triene
OPENEYE Name: bicyclo[4.2.1]nona-2,4,7-triene
IUPAC Name: bicyclo[4.2.1]nona-2,4,7-triene
SYSTEMATIC NAME: bicyclo[4.2.1]nona-2,4,7-triene
MOLECULAR FORMULA: C9H10
MOLECULAR WEIGHT: 118.1757
SMILES: C1C2C=CC=CC1C=C2
Structure:
CAS RN: 5239-82-7
CAS Name: 2-cyclopropylacetic acid
OPENEYE Name: 2-cyclopropylacetic acid
IUPAC Name: 2-cyclopropylacetic acid
SYSTEMATIC NAME: 2-cyclopropylethanoic acid
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: C1CC1CC(=O)O
Structure:
CAS RN: 5219-48-7
CAS Name: N-(4-chlorophenyl)-1-(4-hexoxyphenyl)methanimine
OPENEYE Name: N-(4-chlorophenyl)-1-(4-hexoxyphenyl)methanimine
IUPAC Name: N-(4-chlorophenyl)-1-(4-hexoxyphenyl)methanimine
SYSTEMATIC NAME: N-(4-chlorophenyl)-1-(4-hexoxyphenyl)methanimine
MOLECULAR FORMULA: C19H22ClNO
MOLECULAR WEIGHT: 315.83708
SMILES: CCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)Cl
Structure:
CAS RN: 110378-86-4
CAS Name: 1-methyl-1-cyclopentanecarboxylic acid
OPENEYE Name: 1-methylcyclopentanecarboxylic acid
IUPAC Name: 1-methylcyclopentane-1-carboxylic acid
SYSTEMATIC NAME: 1-methylcyclopentane-1-carboxylic acid
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CC1(CCCC1)C(=O)O
Structure:
CAS RN: 5203-14-5
CAS Name: 4-butoxybenzonitrile
OPENEYE Name: 4-butoxybenzonitrile
IUPAC Name: 4-butoxybenzonitrile
SYSTEMATIC NAME: 4-butoxybenzenecarbonitrile
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: CCCCOC1=CC=C(C=C1)C#N
Structure:
CAS RN: 5197-66-0
CAS Name: 2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethanol
OPENEYE Name: 2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethanol
IUPAC Name: 2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethanol
SYSTEMATIC NAME: 2-[2-[2-(2-chloroethyloxy)ethoxy]ethoxy]ethanol
MOLECULAR FORMULA: C8H17ClO4
MOLECULAR WEIGHT: 212.67118
SMILES: C(COCCOCCOCCCl)O
Structure:
CAS RN: 5187-81-5
CAS Name: 2,7-dimethylocta-1,7-dien-3,5-diyne
OPENEYE Name: 2,7-dimethylocta-1,7-dien-3,5-diyne
IUPAC Name: 2,7-dimethylocta-1,7-dien-3,5-diyne
SYSTEMATIC NAME: 2,7-dimethylocta-1,7-dien-3,5-diyne
MOLECULAR FORMULA: C10H10
MOLECULAR WEIGHT: 130.1864
SMILES: CC(=C)C#CC#CC(=C)C
Structure:
CAS RN: 5181-34-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12
MOLECULAR WEIGHT: 156.22368
SMILES: C1CC23C1(C=CC=C2)C=CC=C3
Structure:
CAS RN: 5180-53-0
CAS Name: 1,3,5-trinitro-2-[2-(2,4,6-trinitrophenyl)ethyl]benzene
OPENEYE Name: 1,3,5-trinitro-2-[2-(2,4,6-trinitrophenyl)ethyl]benzene
IUPAC Name: 1,3,5-trinitro-2-[2-(2,4,6-trinitrophenyl)ethyl]benzene
SYSTEMATIC NAME: 1,3,5-trinitro-2-[2-(2,4,6-trinitrophenyl)ethyl]benzene
MOLECULAR FORMULA: C14H8N6O12
MOLECULAR WEIGHT: 452.24632
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])CCC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 5176-30-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: C1CC2C3=CC=CC=C3C1N2
Structure:
CAS RN: 5176-20-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H9N
MOLECULAR WEIGHT: 143.18516
SMILES: C1=CC=C2C3C=CC(C2=C1)N3
Structure:
CAS RN: 5174-83-4
CAS Name: 3-(8,13-diethyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl)propanoic acid methyl ester
OPENEYE Name: methyl 3-(8,13-diethyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl)propanoate
IUPAC Name: methyl 3-(8,13-diethyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl)propanoate
SYSTEMATIC NAME: methyl 3-(8,13-diethyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl)propanoate
MOLECULAR FORMULA: C32H36N4O2
MOLECULAR WEIGHT: 508.65384
SMILES: CCC1=C2C=C3C(=CC(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5C)CC)C(=C4CCC(=O)OC)C)N3)C
Structure:
CAS RN: 5173-73-9
CAS Name: 8a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
OPENEYE Name: 8a-methyldecalin-4a-ol
IUPAC Name: 8a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
SYSTEMATIC NAME: 8a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
MOLECULAR FORMULA: C11H20O
MOLECULAR WEIGHT: 168.2759
SMILES: CC12CCCCC1(CCCC2)O
Structure:
CAS RN: 5173-74-0
CAS Name: 8a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
OPENEYE Name: 8a-methyldecalin-4a-ol
IUPAC Name: 8a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
SYSTEMATIC NAME: 8a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
MOLECULAR FORMULA: C11H20O
MOLECULAR WEIGHT: 168.2759
SMILES: CC12CCCCC1(CCCC2)O
Structure:
CAS RN: 5164-35-2
CAS Name: bicyclo[2.1.0]pent-2-ene
OPENEYE Name: bicyclo[2.1.0]pent-2-ene
IUPAC Name: bicyclo[2.1.0]pent-2-ene
SYSTEMATIC NAME: bicyclo[2.1.0]pent-2-ene
MOLECULAR FORMULA: C5H6
MOLECULAR WEIGHT: 66.10114
SMILES: C1C2C1C=C2
Structure:
CAS RN: 5153-39-9
CAS Name: 1-chloro-2,3,4,5,6-pentamethylbenzene
OPENEYE Name: 1-chloro-2,3,4,5,6-pentamethyl-benzene
IUPAC Name: 1-chloro-2,3,4,5,6-pentamethylbenzene
SYSTEMATIC NAME: 1-chloranyl-2,3,4,5,6-pentamethyl-benzene
MOLECULAR FORMULA: C11H15Cl
MOLECULAR WEIGHT: 182.6898
SMILES: CC1=C(C(=C(C(=C1C)C)Cl)C)C
Structure:
CAS RN: 5145-42-6
CAS Name: 2,3-dichlorocyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,3-dichloro-1,4-benzoquinone
IUPAC Name: 2,3-dichlorocyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3-bis(chloranyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C6H2Cl2O2
MOLECULAR WEIGHT: 176.98488
SMILES: C1=CC(=O)C(=C(C1=O)Cl)Cl
Structure:
CAS RN: 26912-70-9
CAS Name: 2,3-dichlorocyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,3-dichloro-1,4-benzoquinone
IUPAC Name: 2,3-dichlorocyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3-bis(chloranyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C6H2Cl2O2
MOLECULAR WEIGHT: 176.98488
SMILES: C1=CC(=O)C(=C(C1=O)Cl)Cl
Structure:
CAS RN: 5131-00-0
CAS Name: 2,12-diethyl-3,8,13,18-tetramethyl-7,17-dipropyl-21,23-dihydroporphyrin
OPENEYE Name: 2,12-diethyl-3,8,13,18-tetramethyl-7,17-dipropyl-21,23-dihydroporphyrin
IUPAC Name: 2,12-diethyl-3,8,13,18-tetramethyl-7,17-dipropyl-21,23-dihydroporphyrin
SYSTEMATIC NAME: 2,12-diethyl-3,8,13,18-tetramethyl-7,17-dipropyl-21,23-dihydroporphyrin
MOLECULAR FORMULA: C34H42N4
MOLECULAR WEIGHT: 506.72408
SMILES: CCCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=CC1=N2)N5)C)CC)C)CCC)C)CC)C
Structure:
CAS RN: 5129-37-3
CAS Name: 2,2-dimethylpropanoic acid butyl ester
OPENEYE Name: butyl 2,2-dimethylpropanoate
IUPAC Name: butyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: butyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C9H18O2
MOLECULAR WEIGHT: 158.23802
SMILES: CCCCOC(=O)C(C)(C)C
Structure:
CAS RN: 5129-36-2
CAS Name: 2,2-dimethylpropanoic acid propan-2-yl ester
OPENEYE Name: isopropyl 2,2-dimethylpropanoate
IUPAC Name: propan-2-yl 2,2-dimethylpropanoate
SYSTEMATIC NAME: propan-2-yl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CC(C)OC(=O)C(C)(C)C
Structure:
CAS RN: 5129-35-1
CAS Name: 2,2-dimethylpropanoic acid propyl ester
OPENEYE Name: propyl 2,2-dimethylpropanoate
IUPAC Name: propyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: propyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CCCOC(=O)C(C)(C)C
Structure:
CAS RN: 19506-85-5
CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid
OPENEYE Name: 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoic acid
IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoic acid
MOLECULAR FORMULA: C13H13NO4
MOLECULAR WEIGHT: 247.24662
SMILES: CC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 5115-65-1
CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid
OPENEYE Name: 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoic acid
IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoic acid
MOLECULAR FORMULA: C13H13NO4
MOLECULAR WEIGHT: 247.24662
SMILES: CC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 6306-54-3
CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid
OPENEYE Name: 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoic acid
IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoic acid
MOLECULAR FORMULA: C13H13NO4
MOLECULAR WEIGHT: 247.24662
SMILES: CC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 5103-78-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H16
MOLECULAR WEIGHT: 160.25544
SMILES: C1CC23C1(CC=CC2)CC=CC3
Structure:
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