CAS RN: 2036-39-7
CAS Name: 2,3,4,5-tetradeuteriothiophene
OPENEYE Name: 2,3,4,5-tetradeuteriothiophene
IUPAC Name: 2,3,4,5-tetradeuteriothiophene
SYSTEMATIC NAME: 2,3,4,5-tetradeuteriothiophene
MOLECULAR FORMULA: C4H4S
MOLECULAR WEIGHT: 88.164207
SMILES: [2H]C1=C(SC(=C1[2H])[2H])[2H]
Structure:
CAS RN: 2034-53-9
CAS Name: 7,7-dimethylbicyclo[2.2.1]heptane
OPENEYE Name: 7,7-dimethylnorbornane
IUPAC Name: 7,7-dimethylbicyclo[2.2.1]heptane
SYSTEMATIC NAME: 7,7-dimethylbicyclo[2.2.1]heptane
MOLECULAR FORMULA: C9H16
MOLECULAR WEIGHT: 124.22334
SMILES: CC1(C2CCC1CC2)C
Structure:
CAS RN: 2034-41-5
CAS Name: 1-(3-aminophenyl)-1-butanone
OPENEYE Name: 1-(3-aminophenyl)butan-1-one
IUPAC Name: 1-(3-aminophenyl)butan-1-one
SYSTEMATIC NAME: 1-(3-aminophenyl)butan-1-one
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CCCC(=O)C1=CC(=CC=C1)N
Structure:
CAS RN: 2031-95-0
CAS Name: 1,1,1-trideuterioethane
OPENEYE Name: 1,1,1-trideuterioethane
IUPAC Name: 1,1,1-trideuterioethane
SYSTEMATIC NAME: 1,1,1-trideuterioethane
MOLECULAR FORMULA: C2H6
MOLECULAR WEIGHT: 33.087525
SMILES: [2H]C([2H])([2H])C
Structure:
CAS RN: 2031-90-5
CAS Name: 1,1,1,2,2,3,3,4,4,5,5,5-dodecadeuteriopentane
OPENEYE Name: 1,1,1,2,2,3,3,4,4,5,5,5-dodecadeuteriopentane
IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,5-dodecadeuteriopentane
SYSTEMATIC NAME: 1,1,1,2,2,3,3,4,4,5,5,5-dodecadeuteriopentane
MOLECULAR FORMULA: C5H12
MOLECULAR WEIGHT: 84.222721
SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Structure:
CAS RN: 2025-55-0
CAS Name: propane
OPENEYE Name: propane
IUPAC Name: propane
SYSTEMATIC NAME: propane
MOLECULAR FORMULA: C3H7
MOLECULAR WEIGHT: 43.08768
SMILES: C[CH]C
Structure:
CAS RN: 2022-67-5
CAS Name: 1-fluoro-2-propan-2-ylbenzene
OPENEYE Name: 1-fluoro-2-isopropyl-benzene
IUPAC Name: 1-fluoro-2-propan-2-ylbenzene
SYSTEMATIC NAME: 1-fluoranyl-2-propan-2-yl-benzene
MOLECULAR FORMULA: C9H11F
MOLECULAR WEIGHT: 138.182043
SMILES: CC(C)C1=CC=CC=C1F
Structure:
CAS RN: 2018-90-8
CAS Name: 2-naphthalenylmethanamine
OPENEYE Name: 2-naphthylmethanamine
IUPAC Name: naphthalen-2-ylmethanamine
SYSTEMATIC NAME: naphthalen-2-ylmethanamine
MOLECULAR FORMULA: C11H11N
MOLECULAR WEIGHT: 157.21174
SMILES: C1=CC=C2C=C(C=CC2=C1)CN
Structure:
CAS RN: 2003-86-3
CAS Name: trimethyl-[methyl-bis(trimethylsilyl)silyl]silane
OPENEYE Name: trimethyl-[methyl-bis(trimethylsilyl)silyl]silane
IUPAC Name: trimethyl-[methyl-bis(trimethylsilyl)silyl]silane
SYSTEMATIC NAME: trimethyl-[methyl-bis(trimethylsilyl)silyl]silane
MOLECULAR FORMULA: C10H30Si4
MOLECULAR WEIGHT: 262.6872
SMILES: C[Si](C)(C)[Si](C)([Si](C)(C)C)[Si](C)(C)C
Structure:
CAS RN: 2003-82-9
CAS Name: 1-bromo-1-propyne
OPENEYE Name: 1-bromoprop-1-yne
IUPAC Name: 1-bromoprop-1-yne
SYSTEMATIC NAME: 1-bromanylprop-1-yne
MOLECULAR FORMULA: C3H3Br
MOLECULAR WEIGHT: 118.95992
SMILES: CC#CBr
Structure:
CAS RN: 2003-32-9
CAS Name: 3-iodo-2-propynenitrile
OPENEYE Name: 3-iodoprop-2-ynenitrile
IUPAC Name: 3-iodoprop-2-ynenitrile
SYSTEMATIC NAME: 3-iodanylprop-2-ynenitrile
MOLECULAR FORMULA: C3IN
MOLECULAR WEIGHT: 176.94327
SMILES: C(#CI)C#N
Structure:
CAS RN: 2003-31-8
CAS Name: 3-chloro-2-propynenitrile
OPENEYE Name: 3-chloroprop-2-ynenitrile
IUPAC Name: 3-chloroprop-2-ynenitrile
SYSTEMATIC NAME: 3-chloranylprop-2-ynenitrile
MOLECULAR FORMULA: C3ClN
MOLECULAR WEIGHT: 85.4918
SMILES: C(#CCl)C#N
Structure:
CAS RN: 3303-45-5
CAS Name: 2-[(2-amino-1-oxopropyl)amino]-3-methylbutanoic acid
OPENEYE Name: 2-(2-aminopropanoylamino)-3-methyl-butanoic acid
IUPAC Name: 2-(2-aminopropanoylamino)-3-methylbutanoic acid
SYSTEMATIC NAME: 2-(2-azanylpropanoylamino)-3-methyl-butanoic acid
MOLECULAR FORMULA: C8H16N2O3
MOLECULAR WEIGHT: 188.22424
SMILES: CC(C)C(C(=O)O)NC(=O)C(C)N
Structure:
CAS RN: 1999-46-8
CAS Name: 2-[(2-amino-1-oxopropyl)amino]-3-methylbutanoic acid
OPENEYE Name: 2-(2-aminopropanoylamino)-3-methyl-butanoic acid
IUPAC Name: 2-(2-aminopropanoylamino)-3-methylbutanoic acid
SYSTEMATIC NAME: 2-(2-azanylpropanoylamino)-3-methyl-butanoic acid
MOLECULAR FORMULA: C8H16N2O3
MOLECULAR WEIGHT: 188.22424
SMILES: CC(C)C(C(=O)O)NC(=O)C(C)N
Structure:
CAS RN: 3303-46-6
CAS Name: 2-[(2-amino-1-oxopropyl)amino]-3-methylbutanoic acid
OPENEYE Name: 2-(2-aminopropanoylamino)-3-methyl-butanoic acid
IUPAC Name: 2-(2-aminopropanoylamino)-3-methylbutanoic acid
SYSTEMATIC NAME: 2-(2-azanylpropanoylamino)-3-methyl-butanoic acid
MOLECULAR FORMULA: C8H16N2O3
MOLECULAR WEIGHT: 188.22424
SMILES: CC(C)C(C(=O)O)NC(=O)C(C)N
Structure:
CAS RN: 1996-29-8
CAS Name: 1-bromo-4-chloro-2-fluorobenzene
OPENEYE Name: 1-bromo-4-chloro-2-fluoro-benzene
IUPAC Name: 1-bromo-4-chloro-2-fluorobenzene
SYSTEMATIC NAME: 1-bromanyl-4-chloranyl-2-fluoranyl-benzene
MOLECULAR FORMULA: C6H3BrClF
MOLECULAR WEIGHT: 209.443423
SMILES: C1=CC(=C(C=C1Cl)F)Br
Structure:
CAS RN: 1988-88-1
CAS Name: 3,5-ditert-butyl-4-hydroxybenzonitrile
OPENEYE Name: 3,5-ditert-butyl-4-hydroxy-benzonitrile
IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzonitrile
SYSTEMATIC NAME: 3,5-ditert-butyl-4-oxidanyl-benzenecarbonitrile
MOLECULAR FORMULA: C15H21NO
MOLECULAR WEIGHT: 231.33334
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#N
Structure:
CAS RN: 1985-48-4
CAS Name: 7-methyl-2-azepanone
OPENEYE Name: 7-methylazepan-2-one
IUPAC Name: 7-methylazepan-2-one
SYSTEMATIC NAME: 7-methylazepan-2-one
MOLECULAR FORMULA: C7H13NO
MOLECULAR WEIGHT: 127.18422
SMILES: CC1CCCCC(=O)N1
Structure:
CAS RN: 1978-04-7
CAS Name: 1,2,3,4-tetrafluoro-5,6-bis(trifluoromethyl)benzene
OPENEYE Name: 1,2,3,4-tetrafluoro-5,6-bis(trifluoromethyl)benzene
IUPAC Name: 1,2,3,4-tetrafluoro-5,6-bis(trifluoromethyl)benzene
SYSTEMATIC NAME: 1,2,3,4-tetrakis(fluoranyl)-5,6-bis(trifluoromethyl)benzene
MOLECULAR FORMULA: C8F10
MOLECULAR WEIGHT: 286.069632
SMILES: C1(=C(C(=C(C(=C1F)F)F)F)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 1961-02-0
CAS Name: bis(3-fluorophenyl)mercury
OPENEYE Name: bis(3-fluorophenyl)mercury
IUPAC Name: bis(3-fluorophenyl)mercury
SYSTEMATIC NAME: bis(3-fluorophenyl)mercury
MOLECULAR FORMULA: C12H8F2Hg
MOLECULAR WEIGHT: 390.778726
SMILES: C1=CC(=CC(=C1)[Hg]C2=CC=CC(=C2)F)F
Structure:
CAS RN: 19550-03-9
CAS Name: 2,3-dimethyl-2-hexanol
OPENEYE Name: 2,3-dimethylhexan-2-ol
IUPAC Name: 2,3-dimethylhexan-2-ol
SYSTEMATIC NAME: 2,3-dimethylhexan-2-ol
MOLECULAR FORMULA: C8H18O
MOLECULAR WEIGHT: 130.22792
SMILES: CCCC(C)C(C)(C)O
Structure:
CAS RN: 1955-03-9
CAS Name: 2,3-dimethyl-2-hexanol
OPENEYE Name: 2,3-dimethylhexan-2-ol
IUPAC Name: 2,3-dimethylhexan-2-ol
SYSTEMATIC NAME: 2,3-dimethylhexan-2-ol
MOLECULAR FORMULA: C8H18O
MOLECULAR WEIGHT: 130.22792
SMILES: CCCC(C)C(C)(C)O
Structure:
CAS RN: 1952-62-1
CAS Name: 2-(diethylamino)-N-(10-methyl-3-phenothiazinyl)acetamide
OPENEYE Name: 2-(diethylamino)-N-(10-methylphenothiazin-3-yl)acetamide
IUPAC Name: 2-(diethylamino)-N-(10-methylphenothiazin-3-yl)acetamide
SYSTEMATIC NAME: 2-(diethylamino)-N-(10-methylphenothiazin-3-yl)ethanamide
MOLECULAR FORMULA: C19H23N3OS
MOLECULAR WEIGHT: 341.47042
SMILES: CCN(CC)CC(=O)NC1=CC2=C(C=C1)N(C3=CC=CC=C3S2)C
Structure:
CAS RN: 1945-84-2
CAS Name: 2-ethynylpyridine
OPENEYE Name: 2-ethynylpyridine
IUPAC Name: 2-ethynylpyridine
SYSTEMATIC NAME: 2-ethynylpyridine
MOLECULAR FORMULA: C7H5N
MOLECULAR WEIGHT: 103.1213
SMILES: C#CC1=CC=CC=N1
Structure:
CAS RN: 1943-09-5
CAS Name: 1,3-didecylurea
OPENEYE Name: 1,3-didecylurea
IUPAC Name: 1,3-didecylurea
SYSTEMATIC NAME: 1,3-didecylurea
MOLECULAR FORMULA: C21H44N2O
MOLECULAR WEIGHT: 340.58686
SMILES: CCCCCCCCCCNC(=O)NCCCCCCCCCC
Structure:
CAS RN: 1943-08-4
CAS Name: 1,3-dioctylurea
OPENEYE Name: 1,3-dioctylurea
IUPAC Name: 1,3-dioctylurea
SYSTEMATIC NAME: 1,3-dioctylurea
MOLECULAR FORMULA: C17H36N2O
MOLECULAR WEIGHT: 284.48054
SMILES: CCCCCCCCNC(=O)NCCCCCCCC
Structure:
CAS RN: 1939-29-3
CAS Name: 2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide
OPENEYE Name: 2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide
IUPAC Name: 2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)-N-[3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C9H5Cl3F3NO
MOLECULAR WEIGHT: 306.49631
SMILES: C1=CC(=CC(=C1)NC(=O)C(Cl)(Cl)Cl)C(F)(F)F
Structure:
CAS RN: 1939-27-1
CAS Name: 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
OPENEYE Name: 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
IUPAC Name: 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SYSTEMATIC NAME: 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
MOLECULAR FORMULA: C11H12F3NO
MOLECULAR WEIGHT: 231.21429
SMILES: CC(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F
Structure:
CAS RN: 1939-21-5
CAS Name: 2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
OPENEYE Name: 2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
IUPAC Name: 2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-phenyl-N-[3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C15H12F3NO
MOLECULAR WEIGHT: 279.25709
SMILES: C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F
Structure:
CAS RN: 1924-47-6
CAS Name: N-(2,2-dinitropropyl)-2,2-dinitro-1-propanamine
OPENEYE Name: N-(2,2-dinitropropyl)-2,2-dinitro-propan-1-amine
IUPAC Name: N-(2,2-dinitropropyl)-2,2-dinitropropan-1-amine
SYSTEMATIC NAME: N-(2,2-dinitropropyl)-2,2-dinitro-propan-1-amine
MOLECULAR FORMULA: C6H11N5O8
MOLECULAR WEIGHT: 281.18024
SMILES: CC(CNCC(C)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 1923-01-9
CAS Name: trimethyl(1-phenylethenyl)silane
OPENEYE Name: trimethyl(1-phenylvinyl)silane
IUPAC Name: trimethyl(1-phenylethenyl)silane
SYSTEMATIC NAME: trimethyl(1-phenylethenyl)silane
MOLECULAR FORMULA: C11H16Si
MOLECULAR WEIGHT: 176.33024
SMILES: C[Si](C)(C)C(=C)C1=CC=CC=C1
Structure:
CAS RN: 1911-01-9
CAS Name: 2-(1,3-dimethyl-2-imidazolidinylidene)-1,3-dimethylimidazolidine
OPENEYE Name: 2-(1,3-dimethylimidazolidin-2-ylidene)-1,3-dimethyl-imidazolidine
IUPAC Name: 2-(1,3-dimethylimidazolidin-2-ylidene)-1,3-dimethylimidazolidine
SYSTEMATIC NAME: 2-(1,3-dimethylimidazolidin-2-ylidene)-1,3-dimethyl-imidazolidine
MOLECULAR FORMULA: C10H20N4
MOLECULAR WEIGHT: 196.2926
SMILES: CN1CCN(C1=C2N(CCN2C)C)C
Structure:
CAS RN: 1907-69-3
CAS Name: 3-ethoxy-1,3-diphenyl-2-propen-1-one
OPENEYE Name: 3-ethoxy-1,3-diphenyl-prop-2-en-1-one
IUPAC Name: 3-ethoxy-1,3-diphenylprop-2-en-1-one
SYSTEMATIC NAME: 3-ethoxy-1,3-diphenyl-prop-2-en-1-one
MOLECULAR FORMULA: C17H16O2
MOLECULAR WEIGHT: 252.30774
SMILES: CCOC(=CC(=O)C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 1907-46-6
CAS Name: 3-ethyl-5-hexen-3-ol
OPENEYE Name: 3-ethylhex-5-en-3-ol
IUPAC Name: 3-ethylhex-5-en-3-ol
SYSTEMATIC NAME: 3-ethylhex-5-en-3-ol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CCC(CC)(CC=C)O
Structure:
CAS RN: 1904-31-0
CAS Name: 1-methyl-3-pyrazolamine
OPENEYE Name: 1-methylpyrazol-3-amine
IUPAC Name: 1-methylpyrazol-3-amine
SYSTEMATIC NAME: 1-methylpyrazol-3-amine
MOLECULAR FORMULA: C4H7N3
MOLECULAR WEIGHT: 97.11848
SMILES: CN1C=CC(=N1)N
Structure:
CAS RN: 1900-58-9
CAS Name: 4-tert-butyl-1,1-diethoxycyclohexane
OPENEYE Name: 4-tert-butyl-1,1-diethoxy-cyclohexane
IUPAC Name: 4-tert-butyl-1,1-diethoxycyclohexane
SYSTEMATIC NAME: 4-tert-butyl-1,1-diethoxy-cyclohexane
MOLECULAR FORMULA: C14H28O2
MOLECULAR WEIGHT: 228.37092
SMILES: CCOC1(CCC(CC1)C(C)(C)C)OCC
Structure:
CAS RN: 1899-74-7
CAS Name: trimethyl-[2-(trimethylsilylmethyl)phenyl]silane
OPENEYE Name: trimethyl-[2-(trimethylsilylmethyl)phenyl]silane
IUPAC Name: trimethyl-[2-(trimethylsilylmethyl)phenyl]silane
SYSTEMATIC NAME: trimethyl-[2-(trimethylsilylmethyl)phenyl]silane
MOLECULAR FORMULA: C13H24Si2
MOLECULAR WEIGHT: 236.50066
SMILES: C[Si](C)(C)CC1=CC=CC=C1[Si](C)(C)C
Structure:
CAS RN: 1899-05-4
CAS Name: 1-oxa-6-thiacycloheptadecan-17-one
OPENEYE Name: 1-oxa-6-thiacycloheptadecan-17-one
IUPAC Name: 1-oxa-6-thiacycloheptadecan-17-one
SYSTEMATIC NAME: 1-oxa-6-thiacycloheptadecan-17-one
MOLECULAR FORMULA: C15H28O2S
MOLECULAR WEIGHT: 272.44662
SMILES: C1CCCCCSCCCCOC(=O)CCCC1
Structure:
CAS RN: 1898-77-7
CAS Name: borylene(trimethyl)phosphorane
OPENEYE Name: boranylidene(trimethyl)-$l^{5}-phosphane
IUPAC Name: boranylidene(trimethyl)-$l^{5}-phosphane
SYSTEMATIC NAME: boranylidene(trimethyl)-$l^{5}-phosphane
MOLECULAR FORMULA: C3H10BP
MOLECULAR WEIGHT: 87.896261
SMILES: B=P(C)(C)C
Structure:
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