CAS RN: 2348-48-3
CAS Name: 1,2-dimethylbenzene
OPENEYE Name: 1,2-dimethylbenzene
IUPAC Name: 1,2-dimethylbenzene
SYSTEMATIC NAME: 1,2-dimethylbenzene
MOLECULAR FORMULA: C8H9
MOLECULAR WEIGHT: 105.15706
SMILES: CC1=CC=CC=C1[CH2]
Structure:
CAS RN: 2348-47-2
CAS Name: 1,3-dimethylbenzene
OPENEYE Name: 1,3-dimethylbenzene
IUPAC Name: 1,3-dimethylbenzene
SYSTEMATIC NAME: 1,3-dimethylbenzene
MOLECULAR FORMULA: C8H9
MOLECULAR WEIGHT: 105.15706
SMILES: CC1=CC=CC(=C1)[CH2]
Structure:
CAS RN: 2345-51-9
CAS Name: 3-butynoic acid
OPENEYE Name: but-3-ynoic acid
IUPAC Name: but-3-ynoic acid
SYSTEMATIC NAME: but-3-ynoic acid
MOLECULAR FORMULA: C4H4O2
MOLECULAR WEIGHT: 84.07336
SMILES: C#CCC(=O)O
Structure:
CAS RN: 2338-54-7
CAS Name: 1-fluoro-4-methoxy-2-methylbenzene
OPENEYE Name: 1-fluoro-4-methoxy-2-methyl-benzene
IUPAC Name: 1-fluoro-4-methoxy-2-methylbenzene
SYSTEMATIC NAME: 1-fluoranyl-4-methoxy-2-methyl-benzene
MOLECULAR FORMULA: C8H9FO
MOLECULAR WEIGHT: 140.154863
SMILES: CC1=C(C=CC(=C1)OC)F
Structure:
CAS RN: 2327-98-2
CAS Name: buta-1,2-dienylbenzene
OPENEYE Name: buta-1,2-dienylbenzene
IUPAC Name: buta-1,2-dienylbenzene
SYSTEMATIC NAME: buta-1,2-dienylbenzene
MOLECULAR FORMULA: C10H10
MOLECULAR WEIGHT: 130.1864
SMILES: CC=C=CC1=CC=CC=C1
Structure:
CAS RN: 2320-30-1
CAS Name: 3,5-dimethyl-1-cyclohexanone
OPENEYE Name: 3,5-dimethylcyclohexanone
IUPAC Name: 3,5-dimethylcyclohexan-1-one
SYSTEMATIC NAME: 3,5-dimethylcyclohexan-1-one
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CC1CC(CC(=O)C1)C
Structure:
CAS RN: 7214-49-5
CAS Name: 3,5-dimethyl-1-cyclohexanone
OPENEYE Name: 3,5-dimethylcyclohexanone
IUPAC Name: 3,5-dimethylcyclohexan-1-one
SYSTEMATIC NAME: 3,5-dimethylcyclohexan-1-one
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CC1CC(CC(=O)C1)C
Structure:
CAS RN: 2319-97-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H16
MOLECULAR WEIGHT: 208.29824
SMILES: C1CC2=CC(=CC=C2)CCC3=CC=CC1=C3
Structure:
CAS RN: 2319-61-1
CAS Name: 1-cyclohexylethylcyclohexane
OPENEYE Name: 1-cyclohexylethylcyclohexane
IUPAC Name: 1-cyclohexylethylcyclohexane
SYSTEMATIC NAME: 1-cyclohexylethylcyclohexane
MOLECULAR FORMULA: C14H26
MOLECULAR WEIGHT: 194.35624
SMILES: CC(C1CCCCC1)C2CCCCC2
Structure:
CAS RN: 2314-40-1
CAS Name: 1,3-dithiol-2-one
OPENEYE Name: 1,3-dithiol-2-one
IUPAC Name: 1,3-dithiol-2-one
SYSTEMATIC NAME: 1,3-dithiol-2-one
MOLECULAR FORMULA: C3H2OS2
MOLECULAR WEIGHT: 118.17738
SMILES: C1=CSC(=O)S1
Structure:
CAS RN: 2311-14-0
CAS Name: 1,1,1-tribromoethane
OPENEYE Name: 1,1,1-tribromoethane
IUPAC Name: 1,1,1-tribromoethane
SYSTEMATIC NAME: 1,1,1-tris(bromanyl)ethane
MOLECULAR FORMULA: C2H3Br3
MOLECULAR WEIGHT: 266.75722
SMILES: CC(Br)(Br)Br
Structure:
CAS RN: 30918-78-6
CAS Name: 1,1,1-tribromoethane
OPENEYE Name: 1,1,1-tribromoethane
IUPAC Name: 1,1,1-tribromoethane
SYSTEMATIC NAME: 1,1,1-tris(bromanyl)ethane
MOLECULAR FORMULA: C2H3Br3
MOLECULAR WEIGHT: 266.75722
SMILES: CC(Br)(Br)Br
Structure:
CAS RN: 2308-42-1
CAS Name: N-methylethenamine
OPENEYE Name: N-methylethenamine
IUPAC Name: N-methylethenamine
SYSTEMATIC NAME: N-methylethenamine
MOLECULAR FORMULA: C3H7N
MOLECULAR WEIGHT: 57.09438
SMILES: CNC=C
Structure:
CAS RN: 2307-06-4
CAS Name: 9-hexadecylspiro[4.5]decane
OPENEYE Name: 9-hexadecylspiro[4.5]decane
IUPAC Name: 9-hexadecylspiro[4.5]decane
SYSTEMATIC NAME: 9-hexadecylspiro[4.5]decane
MOLECULAR FORMULA: C26H50
MOLECULAR WEIGHT: 362.6752
SMILES: CCCCCCCCCCCCCCCCC1CCCC2(C1)CCCC2
Structure:
CAS RN: 2305-59-1
CAS Name: 5,5-dimethyl-1,4-dihydroimidazole
OPENEYE Name: 5,5-dimethyl-1,4-dihydroimidazole
IUPAC Name: 5,5-dimethyl-1,4-dihydroimidazole
SYSTEMATIC NAME: 5,5-dimethyl-1,4-dihydroimidazole
MOLECULAR FORMULA: C5H10N2
MOLECULAR WEIGHT: 98.1463
SMILES: CC1(CN=CN1)C
Structure:
CAS RN: 2300-88-1
CAS Name: N-[3-(trifluoromethyl)phenyl]propanamide
OPENEYE Name: N-[3-(trifluoromethyl)phenyl]propanamide
IUPAC Name: N-[3-(trifluoromethyl)phenyl]propanamide
SYSTEMATIC NAME: N-[3-(trifluoromethyl)phenyl]propanamide
MOLECULAR FORMULA: C10H10F3NO
MOLECULAR WEIGHT: 217.18771
SMILES: CCC(=O)NC1=CC=CC(=C1)C(F)(F)F
Structure:
CAS RN: 2300-87-0
CAS Name: 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]pentanamide
OPENEYE Name: 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]pentanamide
IUPAC Name: 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]pentanamide
SYSTEMATIC NAME: 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]pentanamide
MOLECULAR FORMULA: C14H18F3NO
MOLECULAR WEIGHT: 273.29403
SMILES: CCCC(C)(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F
Structure:
CAS RN: 2296-53-9
CAS Name: 2,2,2-trichloro-1-(1-piperidinyl)ethanone
OPENEYE Name: 2,2,2-trichloro-1-(1-piperidyl)ethanone
IUPAC Name: 2,2,2-trichloro-1-piperidin-1-ylethanone
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)-1-piperidin-1-yl-ethanone
MOLECULAR FORMULA: C7H10Cl3NO
MOLECULAR WEIGHT: 230.5194
SMILES: C1CCN(CC1)C(=O)C(Cl)(Cl)Cl
Structure:
CAS RN: 2295-13-8
CAS Name: 1,1,3-trimethylsiletane
OPENEYE Name: 1,1,3-trimethylsiletane
IUPAC Name: 1,1,3-trimethylsiletane
SYSTEMATIC NAME: 1,1,3-trimethylsiletane
MOLECULAR FORMULA: C6H14Si
MOLECULAR WEIGHT: 114.26086
SMILES: CC1C[Si](C1)(C)C
Structure:
CAS RN: 2295-05-8
CAS Name: trimethyl(3-trimethylsilylpropyl)silane
OPENEYE Name: trimethyl(3-trimethylsilylpropyl)silane
IUPAC Name: trimethyl(3-trimethylsilylpropyl)silane
SYSTEMATIC NAME: trimethyl(3-trimethylsilylpropyl)silane
MOLECULAR FORMULA: C9H24Si2
MOLECULAR WEIGHT: 188.45786
SMILES: C[Si](C)(C)CCC[Si](C)(C)C
Structure:
CAS RN: 2294-94-2
CAS Name: 1,1,2-triphenylethylbenzene
OPENEYE Name: 1,1,2-triphenylethylbenzene
IUPAC Name: 1,1,2-triphenylethylbenzene
SYSTEMATIC NAME: 1,1,2-triphenylethylbenzene
MOLECULAR FORMULA: C26H22
MOLECULAR WEIGHT: 334.45288
SMILES: C1=CC=C(C=C1)CC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 2294-72-6
CAS Name: 5-undecyne
OPENEYE Name: undec-5-yne
IUPAC Name: undec-5-yne
SYSTEMATIC NAME: undec-5-yne
MOLECULAR FORMULA: C11H20
MOLECULAR WEIGHT: 152.2765
SMILES: CCCCCC#CCCCC
Structure:
CAS RN: 2294-43-1
CAS Name: 1-bromo-4-prop-2-enylbenzene
OPENEYE Name: 1-allyl-4-bromo-benzene
IUPAC Name: 1-bromo-4-prop-2-enylbenzene
SYSTEMATIC NAME: 1-bromanyl-4-prop-2-enyl-benzene
MOLECULAR FORMULA: C9H9Br
MOLECULAR WEIGHT: 197.07176
SMILES: C=CCC1=CC=C(C=C1)Br
Structure:
CAS RN: 2294-41-9
CAS Name: 3-chlorobicyclo[2.2.1]hepta-2,5-diene
OPENEYE Name: 3-chlorobicyclo[2.2.1]hepta-2,5-diene
IUPAC Name: 3-chlorobicyclo[2.2.1]hepta-2,5-diene
SYSTEMATIC NAME: 3-chloranylbicyclo[2.2.1]hepta-2,5-diene
MOLECULAR FORMULA: C7H7Cl
MOLECULAR WEIGHT: 126.58348
SMILES: C1C2C=CC1C(=C2)Cl
Structure:
CAS RN: 13514-03-9
CAS Name: 3-chloro-8-methyl-8-azabicyclo[3.2.1]octane
OPENEYE Name: 3-chloro-8-methyl-8-azabicyclo[3.2.1]octane
IUPAC Name: 3-chloro-8-methyl-8-azabicyclo[3.2.1]octane
SYSTEMATIC NAME: 3-chloranyl-8-methyl-8-azabicyclo[3.2.1]octane
MOLECULAR FORMULA: C8H14ClN
MOLECULAR WEIGHT: 159.65646
SMILES: CN1C2CCC1CC(C2)Cl
Structure:
CAS RN: 2292-12-8
CAS Name: 3-chloro-8-methyl-8-azabicyclo[3.2.1]octane
OPENEYE Name: 3-chloro-8-methyl-8-azabicyclo[3.2.1]octane
IUPAC Name: 3-chloro-8-methyl-8-azabicyclo[3.2.1]octane
SYSTEMATIC NAME: 3-chloranyl-8-methyl-8-azabicyclo[3.2.1]octane
MOLECULAR FORMULA: C8H14ClN
MOLECULAR WEIGHT: 159.65646
SMILES: CN1C2CCC1CC(C2)Cl
Structure:
CAS RN: 2292-11-7
CAS Name: 3-bromo-8-methyl-8-azabicyclo[3.2.1]octane
OPENEYE Name: 3-bromo-8-methyl-8-azabicyclo[3.2.1]octane
IUPAC Name: 3-bromo-8-methyl-8-azabicyclo[3.2.1]octane
SYSTEMATIC NAME: 3-bromanyl-8-methyl-8-azabicyclo[3.2.1]octane
MOLECULAR FORMULA: C8H14BrN
MOLECULAR WEIGHT: 204.10746
SMILES: CN1C2CCC1CC(C2)Br
Structure:
CAS RN: 27809-79-6
CAS Name: 3-bromo-8-methyl-8-azabicyclo[3.2.1]octane
OPENEYE Name: 3-bromo-8-methyl-8-azabicyclo[3.2.1]octane
IUPAC Name: 3-bromo-8-methyl-8-azabicyclo[3.2.1]octane
SYSTEMATIC NAME: 3-bromanyl-8-methyl-8-azabicyclo[3.2.1]octane
MOLECULAR FORMULA: C8H14BrN
MOLECULAR WEIGHT: 204.10746
SMILES: CN1C2CCC1CC(C2)Br
Structure:
CAS RN: 2290-58-6
CAS Name: ethynyl(trimethyl)germane
OPENEYE Name: ethynyl(trimethyl)germane
IUPAC Name: ethynyl(trimethyl)germane
SYSTEMATIC NAME: ethynyl(trimethyl)germane
MOLECULAR FORMULA: C5H10Ge
MOLECULAR WEIGHT: 142.7729
SMILES: C[Ge](C)(C)C#C
Structure:
CAS RN: 2288-18-8
CAS Name: buta-1,3-dien-2-ylbenzene
OPENEYE Name: 1-methyleneallylbenzene
IUPAC Name: buta-1,3-dien-2-ylbenzene
SYSTEMATIC NAME: buta-1,3-dien-2-ylbenzene
MOLECULAR FORMULA: C10H10
MOLECULAR WEIGHT: 130.1864
SMILES: C=CC(=C)C1=CC=CC=C1
Structure:
CAS RN: 2287-57-2
CAS Name: 4-bicyclo[2.2.1]heptanecarboxylic acid methyl ester
OPENEYE Name: methyl norbornane-1-carboxylate
IUPAC Name: methyl bicyclo[2.2.1]heptane-4-carboxylate
SYSTEMATIC NAME: methyl bicyclo[2.2.1]heptane-4-carboxylate
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: COC(=O)C12CCC(C1)CC2
Structure:
CAS RN: 2285-06-5
CAS Name: bis(2,3,4,5,6-pentafluorophenyl)diazene
OPENEYE Name: bis(2,3,4,5,6-pentafluorophenyl)diazene
IUPAC Name: bis(2,3,4,5,6-pentafluorophenyl)diazene
SYSTEMATIC NAME: bis[2,3,4,5,6-pentakis(fluoranyl)phenyl]diazene
MOLECULAR FORMULA: C12F10N2
MOLECULAR WEIGHT: 362.125832
SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)N=NC2=C(C(=C(C(=C2F)F)F)F)F
Structure:
CAS RN: 2270-59-9
CAS Name: 5-bromo-2-methyl-2-pentene
OPENEYE Name: 5-bromo-2-methyl-pent-2-ene
IUPAC Name: 5-bromo-2-methylpent-2-ene
SYSTEMATIC NAME: 5-bromanyl-2-methyl-pent-2-ene
MOLECULAR FORMULA: C6H11Br
MOLECULAR WEIGHT: 163.05554
SMILES: CC(=CCCBr)C
Structure:
CAS RN: 2268-05-5
CAS Name: 1,3-dichloro-2-fluorobenzene
OPENEYE Name: 1,3-dichloro-2-fluoro-benzene
IUPAC Name: 1,3-dichloro-2-fluorobenzene
SYSTEMATIC NAME: 1,3-bis(chloranyl)-2-fluoranyl-benzene
MOLECULAR FORMULA: C6H3Cl2F
MOLECULAR WEIGHT: 164.992423
SMILES: C1=CC(=C(C(=C1)Cl)F)Cl
Structure:
CAS RN: 2265-93-2
CAS Name: 2,4-difluoro-1-iodobenzene
OPENEYE Name: 2,4-difluoro-1-iodo-benzene
IUPAC Name: 2,4-difluoro-1-iodobenzene
SYSTEMATIC NAME: 2,4-bis(fluoranyl)-1-iodanyl-benzene
MOLECULAR FORMULA: C6H3F2I
MOLECULAR WEIGHT: 239.989296
SMILES: C1=CC(=C(C=C1F)F)I
Structure:
CAS RN: 2264-21-3
CAS Name: trifluoromethane
OPENEYE Name: trifluoromethane
IUPAC Name: trifluoromethane
SYSTEMATIC NAME: tris(fluoranyl)methane
MOLECULAR FORMULA: CF3
MOLECULAR WEIGHT: 69.00591
SMILES: [C](F)(F)F
Structure:
CAS RN: 2252-95-1
CAS Name: 1,1,4,4-tetrafluorobuta-1,2,3-triene
OPENEYE Name: 1,1,4,4-tetrafluorobuta-1,2,3-triene
IUPAC Name: 1,1,4,4-tetrafluorobuta-1,2,3-triene
SYSTEMATIC NAME: 1,1,4,4-tetrakis(fluoranyl)buta-1,2,3-triene
MOLECULAR FORMULA: C4F4
MOLECULAR WEIGHT: 124.036413
SMILES: C(=C=C(F)F)=C(F)F
Structure:
CAS RN: 2252-78-0
CAS Name: 1-bromo-1,1,2,3,3,3-hexafluoropropane
OPENEYE Name: 1-bromo-1,1,2,3,3,3-hexafluoro-propane
IUPAC Name: 1-bromo-1,1,2,3,3,3-hexafluoropropane
SYSTEMATIC NAME: 1-bromanyl-1,1,2,3,3,3-hexakis(fluoranyl)propane
MOLECULAR FORMULA: C3HBrF6
MOLECULAR WEIGHT: 230.934459
SMILES: C(C(F)(F)F)(C(F)(F)Br)F
Structure:
CAS RN: 2243-95-0
CAS Name: 1,4,5-trinitronaphthalene
OPENEYE Name: 1,4,5-trinitronaphthalene
IUPAC Name: 1,4,5-trinitronaphthalene
SYSTEMATIC NAME: 1,4,5-trinitronaphthalene
MOLECULAR FORMULA: C10H5N3O6
MOLECULAR WEIGHT: 263.1632
SMILES: C1=CC2=C(C=CC(=C2C(=C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 2243-79-0
CAS Name: (2-nitrophenyl)-phenylmethanone
OPENEYE Name: (2-nitrophenyl)-phenyl-methanone
IUPAC Name: (2-nitrophenyl)-phenylmethanone
SYSTEMATIC NAME: (2-nitrophenyl)-phenyl-methanone
MOLECULAR FORMULA: C13H9NO3
MOLECULAR WEIGHT: 227.21546
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 2241-68-1
CAS Name: phosphorous acid tris(2,2,3,3-tetrafluoropropyl) ester
OPENEYE Name: tris(2,2,3,3-tetrafluoropropyl) phosphite
IUPAC Name: tris(2,2,3,3-tetrafluoropropyl) phosphite
SYSTEMATIC NAME: tris[2,2,3,3-tetrakis(fluoranyl)propyl] phosphite
MOLECULAR FORMULA: C9H9F12O3P
MOLECULAR WEIGHT: 424.120559
SMILES: C(C(C(F)F)(F)F)OP(OCC(C(F)F)(F)F)OCC(C(F)F)(F)F
Structure:
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