CAS RN: 2199-51-1
CAS Name: 2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate
IUPAC Name: ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: CCOC(=O)C1=C(NC=C1C)C
Structure:
CAS RN: 2199-47-5
CAS Name: 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
IUPAC Name: ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C11H17NO2
MOLECULAR WEIGHT: 195.25818
SMILES: CCC1=C(NC(=C1C)C(=O)OCC)C
Structure:
CAS RN: 2199-46-4
CAS Name: 3,4,5-trimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
IUPAC Name: ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: CCOC(=O)C1=C(C(=C(N1)C)C)C
Structure:
CAS RN: 2199-45-3
CAS Name: 4,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate
IUPAC Name: ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: CCOC(=O)C1=CC(=C(N1)C)C
Structure:
CAS RN: 2199-44-2
CAS Name: 3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
IUPAC Name: ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: CCOC(=O)C1=C(C=C(N1)C)C
Structure:
CAS RN: 2198-72-3
CAS Name: 4-propyl-4-heptanol
OPENEYE Name: 4-propylheptan-4-ol
IUPAC Name: 4-propylheptan-4-ol
SYSTEMATIC NAME: 4-propylheptan-4-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CCCC(CCC)(CCC)O
Structure:
CAS RN: 2198-45-0
CAS Name: 5-nonanamine
OPENEYE Name: nonan-5-amine
IUPAC Name: nonan-5-amine
SYSTEMATIC NAME: nonan-5-amine
MOLECULAR FORMULA: C9H21N
MOLECULAR WEIGHT: 143.26974
SMILES: CCCCC(CCCC)N
Structure:
CAS RN: 2195-84-8
CAS Name: acetic acid [difluoro(trifluoromethoxy)methyl] ester
OPENEYE Name: [difluoro(trifluoromethoxy)methyl] acetate
IUPAC Name: [difluoro(trifluoromethoxy)methyl] acetate
SYSTEMATIC NAME: [bis(fluoranyl)-(trifluoromethyloxy)methyl] ethanoate
MOLECULAR FORMULA: C4H3F5O3
MOLECULAR WEIGHT: 194.056836
SMILES: CC(=O)OC(OC(F)(F)F)(F)F
Structure:
CAS RN: 2190-97-8
CAS Name: 1-dimethylphosphorylhexadecane
OPENEYE Name: 1-dimethylphosphorylhexadecane
IUPAC Name: 1-dimethylphosphorylhexadecane
SYSTEMATIC NAME: 1-dimethylphosphorylhexadecane
MOLECULAR FORMULA: C18H39OP
MOLECULAR WEIGHT: 302.475421
SMILES: CCCCCCCCCCCCCCCCP(=O)(C)C
Structure:
CAS RN: 2190-96-7
CAS Name: 1-dimethylphosphoryltetradecane
OPENEYE Name: 1-dimethylphosphoryltetradecane
IUPAC Name: 1-dimethylphosphoryltetradecane
SYSTEMATIC NAME: 1-dimethylphosphoryltetradecane
MOLECULAR FORMULA: C16H35OP
MOLECULAR WEIGHT: 274.422261
SMILES: CCCCCCCCCCCCCCP(=O)(C)C
Structure:
CAS RN: 2190-48-9
CAS Name: 3-chloro-3-methyl-1-butene
OPENEYE Name: 3-chloro-3-methyl-but-1-ene
IUPAC Name: 3-chloro-3-methylbut-1-ene
SYSTEMATIC NAME: 3-chloranyl-3-methyl-but-1-ene
MOLECULAR FORMULA: C5H9Cl
MOLECULAR WEIGHT: 104.57796
SMILES: CC(C)(C=C)Cl
Structure:
CAS RN: 2181-19-3
CAS Name: 4-bromo-1-azabicyclo[2.2.2]octane
OPENEYE Name: 4-bromoquinuclidine
IUPAC Name: 4-bromo-1-azabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-bromanyl-1-azabicyclo[2.2.2]octane
MOLECULAR FORMULA: C7H12BrN
MOLECULAR WEIGHT: 190.08088
SMILES: C1CN2CCC1(CC2)Br
Structure:
CAS RN: 2180-30-5
CAS Name: 1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-propanol
OPENEYE Name: 1,1,1,3,3,3-hexafluoro-2-[4-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]phenyl]propan-2-ol
IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol
SYSTEMATIC NAME: 1,1,1,3,3,3-hexakis(fluoranyl)-2-[4-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]phenyl]propan-2-ol
MOLECULAR FORMULA: C18H10F12O2
MOLECULAR WEIGHT: 486.251638
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O
Structure:
CAS RN: 2180-01-0
CAS Name: selenocyanic acid cyano ester
OPENEYE Name: cyano selenocyanate
IUPAC Name: cyano selenocyanate
SYSTEMATIC NAME: cyano selenocyanate
MOLECULAR FORMULA: C2N2Se
MOLECULAR WEIGHT: 130.9948
SMILES: C(#N)[Se]C#N
Structure:
CAS RN: 2175-91-9
CAS Name: 5-propan-2-ylidenecyclopenta-1,3-diene
OPENEYE Name: 5-isopropylidenecyclopenta-1,3-diene
IUPAC Name: 5-propan-2-ylidenecyclopenta-1,3-diene
SYSTEMATIC NAME: 5-propan-2-ylidenecyclopenta-1,3-diene
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: CC(=C1C=CC=C1)C
Structure:
CAS RN: 2171-96-2
CAS Name: methoxysilane
OPENEYE Name: methoxysilane
IUPAC Name: methoxysilane
SYSTEMATIC NAME: methoxysilane
MOLECULAR FORMULA: CH6OSi
MOLECULAR WEIGHT: 62.14324
SMILES: CO[SiH3]
Structure:
CAS RN: 2171-82-6
CAS Name: dichloro-methyl-selanylidenephosphorane
OPENEYE Name: dichloro-methyl-selenoxo-$l^{5}-phosphane
IUPAC Name: dichloro-methyl-selanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: bis(chloranyl)-methyl-selanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: CH3Cl2PSe
MOLECULAR WEIGHT: 195.874281
SMILES: CP(=[Se])(Cl)Cl
Structure:
CAS RN: 2170-06-1
CAS Name: trimethyl(2-phenylethynyl)silane
OPENEYE Name: trimethyl(2-phenylethynyl)silane
IUPAC Name: trimethyl(2-phenylethynyl)silane
SYSTEMATIC NAME: trimethyl(2-phenylethynyl)silane
MOLECULAR FORMULA: C11H14Si
MOLECULAR WEIGHT: 174.31436
SMILES: C[Si](C)(C)C#CC1=CC=CC=C1
Structure:
CAS RN: 2164-87-6
CAS Name: 3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole-2-thione
OPENEYE Name: 3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole-2-thione
IUPAC Name: 3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole-2-thione
SYSTEMATIC NAME: 3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole-2-thione
MOLECULAR FORMULA: C7H10S3
MOLECULAR WEIGHT: 190.3493
SMILES: C1CCC2C(C1)SC(=S)S2
Structure:
CAS RN: 5726-00-1
CAS Name: 3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole-2-thione
OPENEYE Name: 3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole-2-thione
IUPAC Name: 3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole-2-thione
SYSTEMATIC NAME: 3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole-2-thione
MOLECULAR FORMULA: C7H10S3
MOLECULAR WEIGHT: 190.3493
SMILES: C1CCC2C(C1)SC(=S)S2
Structure:
CAS RN: 2163-12-4
CAS Name: 1-(3-acetyl-2,4-dihydroxyphenyl)ethanone
OPENEYE Name: 1-(3-acetyl-2,4-dihydroxy-phenyl)ethanone
IUPAC Name: 1-(3-acetyl-2,4-dihydroxyphenyl)ethanone
SYSTEMATIC NAME: 1-[3-ethanoyl-2,4-bis(oxidanyl)phenyl]ethanone
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: CC(=O)C1=C(C(=C(C=C1)O)C(=O)C)O
Structure:
CAS RN: 2158-78-3
CAS Name: 2-[2-hydroxyethyl(methyl)amino]-5-methylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-[2-hydroxyethyl(methyl)amino]-5-methyl-1,4-benzoquinone
IUPAC Name: 2-[2-hydroxyethyl(methyl)amino]-5-methylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-[2-hydroxyethyl(methyl)amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: CC1=CC(=O)C(=CC1=O)N(C)CCO
Structure:
CAS RN: 2158-77-2
CAS Name: 5-[2-hydroxyethyl(methyl)amino]-2,3-dimethylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 5-[2-hydroxyethyl(methyl)amino]-2,3-dimethyl-1,4-benzoquinone
IUPAC Name: 5-[2-hydroxyethyl(methyl)amino]-2,3-dimethylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 5-[2-hydroxyethyl(methyl)amino]-2,3-dimethyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: CC1=C(C(=O)C(=CC1=O)N(C)CCO)C
Structure:
CAS RN: 2158-55-6
CAS Name: 1,1,4-trimethylcycloheptane
OPENEYE Name: 1,1,4-trimethylcycloheptane
IUPAC Name: 1,1,4-trimethylcycloheptane
SYSTEMATIC NAME: 1,1,4-trimethylcycloheptane
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CC1CCCC(CC1)(C)C
Structure:
CAS RN: 2158-31-8
CAS Name: cycloheptanone oxime
OPENEYE Name: cycloheptanone oxime
IUPAC Name: N-cycloheptylidenehydroxylamine
SYSTEMATIC NAME: N-cycloheptylidenehydroxylamine
MOLECULAR FORMULA: C7H13NO
MOLECULAR WEIGHT: 127.18422
SMILES: C1CCCC(=NO)CC1
Structure:
CAS RN: 2155-78-4
CAS Name: dichloro(chloromethyl)phosphine
OPENEYE Name: dichloro(chloromethyl)phosphane
IUPAC Name: dichloro(chloromethyl)phosphane
SYSTEMATIC NAME: bis(chloranyl)-(chloromethyl)phosphane
MOLECULAR FORMULA: CH2Cl3P
MOLECULAR WEIGHT: 151.359341
SMILES: C(P(Cl)Cl)Cl
Structure:
CAS RN: 2154-62-3
CAS Name: 1-butene
OPENEYE Name: but-1-ene
IUPAC Name: but-1-ene
SYSTEMATIC NAME: but-1-ene
MOLECULAR FORMULA: C4H7
MOLECULAR WEIGHT: 55.09838
SMILES: [CH2]CC=C
Structure:
CAS RN: 2154-55-4
CAS Name: 1,2,3,4,5-pentadeuterio-6-(dideuteriomethyl)benzene
OPENEYE Name: 1,2,3,4,5-pentadeuterio-6-(dideuteriomethyl)benzene
IUPAC Name: 1,2,3,4,5-pentadeuterio-6-(dideuteriomethyl)benzene
SYSTEMATIC NAME: 1,2,3,4,5-pentadeuterio-6-(dideuteriomethyl)benzene
MOLECULAR FORMULA: C7H8
MOLECULAR WEIGHT: 99.181552
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])[2H])[2H])[2H]
Structure:
CAS RN: 2154-54-3
CAS Name: dideuteriomethylbenzene
OPENEYE Name: dideuteriomethylbenzene
IUPAC Name: dideuteriomethylbenzene
SYSTEMATIC NAME: dideuteriomethylbenzene
MOLECULAR FORMULA: C7H7
MOLECULAR WEIGHT: 93.142804
SMILES: [2H][C]([2H])C1=CC=CC=C1
Structure:
CAS RN: 2154-50-9
CAS Name: $l^{1}-oxidanylethane
OPENEYE Name: $l^{1}-oxidanylethane
IUPAC Name: $l^{1}-oxidanylethane
SYSTEMATIC NAME: $l^{1}-oxidanylethane
MOLECULAR FORMULA: C2H5O
MOLECULAR WEIGHT: 45.0605
SMILES: CC[O]
Structure:
CAS RN: 2150-41-6
CAS Name: 2,4-dimethoxybenzoic acid methyl ester
OPENEYE Name: methyl 2,4-dimethoxybenzoate
IUPAC Name: methyl 2,4-dimethoxybenzoate
SYSTEMATIC NAME: methyl 2,4-dimethoxybenzoate
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: COC1=CC(=C(C=C1)C(=O)OC)OC
Structure:
CAS RN: 2146-61-4
CAS Name: 1-(2-bromoethyl)-3-methoxybenzene
OPENEYE Name: 1-(2-bromoethyl)-3-methoxy-benzene
IUPAC Name: 1-(2-bromoethyl)-3-methoxybenzene
SYSTEMATIC NAME: 1-(2-bromoethyl)-3-methoxy-benzene
MOLECULAR FORMULA: C9H11BrO
MOLECULAR WEIGHT: 215.08704
SMILES: COC1=CC=CC(=C1)CCBr
Structure:
CAS RN: 2146-41-0
CAS Name: 3-ethylbicyclo[2.2.1]heptane
OPENEYE Name: 2-ethylnorbornane
IUPAC Name: 3-ethylbicyclo[2.2.1]heptane
SYSTEMATIC NAME: 3-ethylbicyclo[2.2.1]heptane
MOLECULAR FORMULA: C9H16
MOLECULAR WEIGHT: 124.22334
SMILES: CCC1CC2CCC1C2
Structure:
CAS RN: 2146-38-5
CAS Name: 1-ethylcyclopentene
OPENEYE Name: 1-ethylcyclopentene
IUPAC Name: 1-ethylcyclopentene
SYSTEMATIC NAME: 1-ethylcyclopentene
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: CCC1=CCCC1
Structure:
CAS RN: 2145-31-5
CAS Name: 2-[3-(trifluoromethyl)phenoxy]acetonitrile
OPENEYE Name: 2-[3-(trifluoromethyl)phenoxy]acetonitrile
IUPAC Name: 2-[3-(trifluoromethyl)phenoxy]acetonitrile
SYSTEMATIC NAME: 2-[3-(trifluoromethyl)phenoxy]ethanenitrile
MOLECULAR FORMULA: C9H6F3NO
MOLECULAR WEIGHT: 201.14525
SMILES: C1=CC(=CC(=C1)OCC#N)C(F)(F)F
Structure:
CAS RN: 2145-21-3
CAS Name: 1-fluoro-4-$l^{1}-oxidanylbenzene
OPENEYE Name: 1-fluoro-4-$l^{1}-oxidanyl-benzene
IUPAC Name: 1-fluoro-4-$l^{1}-oxidanylbenzene
SYSTEMATIC NAME: 1-fluoranyl-4-$l^{1}-oxidanyl-benzene
MOLECULAR FORMULA: C6H4FO
MOLECULAR WEIGHT: 111.093763
SMILES: C1=CC(=CC=C1[O])F
Structure:
CAS RN: 2143-53-5
CAS Name: cyclopenta-1,3-diene
OPENEYE Name: cyclopenta-1,3-diene
IUPAC Name: cyclopenta-1,3-diene
SYSTEMATIC NAME: cyclopenta-1,3-diene
MOLECULAR FORMULA: C5H5
MOLECULAR WEIGHT: 65.0932
SMILES: C1=C[CH]C=C1
Structure:
CAS RN: 2142-31-6
CAS Name: 1,2,4,5-tetrachloro-3,6-bis(dichloromethyl)benzene
OPENEYE Name: 1,2,4,5-tetrachloro-3,6-bis(dichloromethyl)benzene
IUPAC Name: 1,2,4,5-tetrachloro-3,6-bis(dichloromethyl)benzene
SYSTEMATIC NAME: 1,4-bis[bis(chloranyl)methyl]-2,3,5,6-tetrakis(chloranyl)benzene
MOLECULAR FORMULA: C8H2Cl8
MOLECULAR WEIGHT: 381.72548
SMILES: C1(=C(C(=C(C(=C1Cl)Cl)C(Cl)Cl)Cl)Cl)C(Cl)Cl
Structure:
CAS RN: 2132-85-6
CAS Name: heptan-3-ylbenzene
OPENEYE Name: 1-ethylpentylbenzene
IUPAC Name: heptan-3-ylbenzene
SYSTEMATIC NAME: heptan-3-ylbenzene
MOLECULAR FORMULA: C13H20
MOLECULAR WEIGHT: 176.2979
SMILES: CCCCC(CC)C1=CC=CC=C1
Structure:
CAS RN: 2132-84-5
CAS Name: heptan-2-ylbenzene
OPENEYE Name: 1-methylhexylbenzene
IUPAC Name: heptan-2-ylbenzene
SYSTEMATIC NAME: heptan-2-ylbenzene
MOLECULAR FORMULA: C13H20
MOLECULAR WEIGHT: 176.2979
SMILES: CCCCCC(C)C1=CC=CC=C1
Structure:
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