CAS RN: 31018-29-8
CAS Name: 2-cyanopropan-2-yl-[2-cyanopropan-2-yl(oxido)amino]-oxoammonium
OPENEYE Name: (1-cyano-1-methyl-ethyl)-[(1-cyano-1-methyl-ethyl)-oxido-amino]-oxo-ammonium
IUPAC Name: 2-cyanopropan-2-yl-[2-cyanopropan-2-yl(oxido)amino]-oxoazanium
SYSTEMATIC NAME: 2-cyanopropan-2-yl-[2-cyanopropan-2-yl(oxidanidyl)amino]-oxidanylidene-azanium
MOLECULAR FORMULA: C8H12N4O2
MOLECULAR WEIGHT: 196.20648
SMILES: CC(C)(C#N)N([N+](=O)C(C)(C)C#N)[O-]
Structure:
CAS RN: 31006-98-1
CAS Name: 1-(3,3-dimethylbut-1-en-2-yl)-4-methylbenzene
OPENEYE Name: 1-(2,2-dimethyl-1-methylene-propyl)-4-methyl-benzene
IUPAC Name: 1-(3,3-dimethylbut-1-en-2-yl)-4-methylbenzene
SYSTEMATIC NAME: 1-(3,3-dimethylbut-1-en-2-yl)-4-methyl-benzene
MOLECULAR FORMULA: C13H18
MOLECULAR WEIGHT: 174.28202
SMILES: CC1=CC=C(C=C1)C(=C)C(C)(C)C
Structure:
CAS RN: 30991-42-5
CAS Name: 2-hydroxy-3-methylbenzohydrazide
OPENEYE Name: 2-hydroxy-3-methyl-benzohydrazide
IUPAC Name: 2-hydroxy-3-methylbenzohydrazide
SYSTEMATIC NAME: 3-methyl-2-oxidanyl-benzohydrazide
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: CC1=CC=CC(=C1O)C(=O)NN
Structure:
CAS RN: 30983-85-8
CAS Name: 3-iodobicyclo[2.2.1]heptane
OPENEYE Name: 2-iodonorbornane
IUPAC Name: 3-iodobicyclo[2.2.1]heptane
SYSTEMATIC NAME: 3-iodanylbicyclo[2.2.1]heptane
MOLECULAR FORMULA: C7H11I
MOLECULAR WEIGHT: 222.06671
SMILES: C1CC2CC1CC2I
Structure:
CAS RN: 57173-48-5
CAS Name: 3-iodobicyclo[2.2.1]heptane
OPENEYE Name: 2-iodonorbornane
IUPAC Name: 3-iodobicyclo[2.2.1]heptane
SYSTEMATIC NAME: 3-iodanylbicyclo[2.2.1]heptane
MOLECULAR FORMULA: C7H11I
MOLECULAR WEIGHT: 222.06671
SMILES: C1CC2CC1CC2I
Structure:
CAS RN: 30980-97-3
CAS Name: 2-dimethylboranyl-1,1-dimethylhydrazine
OPENEYE Name: 2-dimethylboranyl-1,1-dimethyl-hydrazine
IUPAC Name: 2-dimethylboranyl-1,1-dimethylhydrazine
SYSTEMATIC NAME: 2-dimethylboranyl-1,1-dimethyl-diazane
MOLECULAR FORMULA: C4H13BN2
MOLECULAR WEIGHT: 99.97042
SMILES: B(C)(C)NN(C)C
Structure:
CAS RN: 30980-11-1
CAS Name: (sulfinylamino)cyclohexane
OPENEYE Name: (sulfinylamino)cyclohexane
IUPAC Name: (sulfinylamino)cyclohexane
SYSTEMATIC NAME: (sulfinylamino)cyclohexane
MOLECULAR FORMULA: C6H11NOS
MOLECULAR WEIGHT: 145.22264
SMILES: C1CCC(CC1)N=S=O
Structure:
CAS RN: 30979-68-1
CAS Name: 2-methoxycyclohexa-1,3-diene
OPENEYE Name: 2-methoxycyclohexa-1,3-diene
IUPAC Name: 2-methoxycyclohexa-1,3-diene
SYSTEMATIC NAME: 2-methoxycyclohexa-1,3-diene
MOLECULAR FORMULA: C7H10O
MOLECULAR WEIGHT: 110.1537
SMILES: COC1=CCCC=C1
Structure:
CAS RN: 30967-37-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C7H11
MOLECULAR WEIGHT: 95.16224
SMILES: C1CC2CC1C[CH]2
Structure:
CAS RN: 30933-31-4
CAS Name: 2,2,2-trifluoro-1-(3-thiophenyl)ethanone
OPENEYE Name: 2,2,2-trifluoro-1-(3-thienyl)ethanone
IUPAC Name: 2,2,2-trifluoro-1-thiophen-3-ylethanone
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-1-thiophen-3-yl-ethanone
MOLECULAR FORMULA: C6H3F3OS
MOLECULAR WEIGHT: 180.14763
SMILES: C1=CSC=C1C(=O)C(F)(F)F
Structure:
CAS RN: 30893-52-8
CAS Name: 2-[(2-fluoro-2,2-dinitroethoxy)methoxy]-1,1,1-trinitroethane
OPENEYE Name: 2-[(2-fluoro-2,2-dinitro-ethoxy)methoxy]-1,1,1-trinitro-ethane
IUPAC Name: 2-[(2-fluoro-2,2-dinitroethoxy)methoxy]-1,1,1-trinitroethane
SYSTEMATIC NAME: 2-[(2-fluoranyl-2,2-dinitro-ethoxy)methoxy]-1,1,1-trinitro-ethane
MOLECULAR FORMULA: C5H6FN5O12
MOLECULAR WEIGHT: 347.125843
SMILES: C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OCOCC([N+](=O)[O-])([N+](=O)[O-])F
Structure:
CAS RN: 30855-80-2
CAS Name: 4-(1-aziridinyl)benzonitrile
OPENEYE Name: 4-(aziridin-1-yl)benzonitrile
IUPAC Name: 4-(aziridin-1-yl)benzonitrile
SYSTEMATIC NAME: 4-(aziridin-1-yl)benzenecarbonitrile
MOLECULAR FORMULA: C9H8N2
MOLECULAR WEIGHT: 144.17322
SMILES: C1CN1C2=CC=C(C=C2)C#N
Structure:
CAS RN: 30855-79-9
CAS Name: 1-(4-nitrophenyl)aziridine
OPENEYE Name: 1-(4-nitrophenyl)aziridine
IUPAC Name: 1-(4-nitrophenyl)aziridine
SYSTEMATIC NAME: 1-(4-nitrophenyl)aziridine
MOLECULAR FORMULA: C8H8N2O2
MOLECULAR WEIGHT: 164.16132
SMILES: C1CN1C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 30834-51-6
CAS Name: 1'-spiro[bicyclo[2.2.1]hept-2-ene-5,4'-cyclohex-2-ene]one
OPENEYE Name: spiro[bicyclo[2.2.1]hept-2-ene-5,4'-cyclohex-2-ene]-1'-one
IUPAC Name: spiro[bicyclo[2.2.1]hept-2-ene-5,4'-cyclohex-2-ene]-1'-one
SYSTEMATIC NAME: spiro[bicyclo[2.2.1]hept-2-ene-5,4'-cyclohex-2-ene]-1'-one
MOLECULAR FORMULA: C12H14O
MOLECULAR WEIGHT: 174.23896
SMILES: C1CC2(CC3CC2C=C3)C=CC1=O
Structure:
CAS RN: 30834-47-0
CAS Name: 9-spiro[5.5]undeca-3,10-dienone
OPENEYE Name: spiro[5.5]undeca-3,10-dien-9-one
IUPAC Name: spiro[5.5]undeca-3,10-dien-9-one
SYSTEMATIC NAME: spiro[5.5]undeca-3,10-dien-9-one
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: C1CC2(CCC(=O)C=C2)CC=C1
Structure:
CAS RN: 30830-20-7
CAS Name: bicyclo[2.2.0]hex-1(4)-ene
OPENEYE Name: bicyclo[2.2.0]hex-1(4)-ene
IUPAC Name: bicyclo[2.2.0]hex-1(4)-ene
SYSTEMATIC NAME: bicyclo[2.2.0]hex-1(4)-ene
MOLECULAR FORMULA: C6H8
MOLECULAR WEIGHT: 80.12772
SMILES: C1CC2=C1CC2
Structure:
CAS RN: 30736-79-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H10
MOLECULAR WEIGHT: 178.2292
SMILES: C1=CC2=C3C(=C1)C4C=CC4C3=CC=C2
Structure:
CAS RN: 30736-77-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H12
MOLECULAR WEIGHT: 180.24508
SMILES: C1C2CC1C3=CC=CC4=C3C2=CC=C4
Structure:
CAS RN: 30723-54-7
CAS Name: 1-methoxy-3-(phenylthio)benzene
OPENEYE Name: 1-methoxy-3-phenylsulfanyl-benzene
IUPAC Name: 1-methoxy-3-phenylsulfanylbenzene
SYSTEMATIC NAME: 1-methoxy-3-phenylsulfanyl-benzene
MOLECULAR FORMULA: C13H12OS
MOLECULAR WEIGHT: 216.29878
SMILES: COC1=CC(=CC=C1)SC2=CC=CC=C2
Structure:
CAS RN: 30719-18-7
CAS Name: 3-iodo-2-butanone
OPENEYE Name: 3-iodobutan-2-one
IUPAC Name: 3-iodobutan-2-one
SYSTEMATIC NAME: 3-iodanylbutan-2-one
MOLECULAR FORMULA: C4H7IO
MOLECULAR WEIGHT: 198.00225
SMILES: CC(C(=O)C)I
Structure:
CAS RN: 30718-63-9
CAS Name: propan-2-ylidenecyclooctane
OPENEYE Name: isopropylidenecyclooctane
IUPAC Name: propan-2-ylidenecyclooctane
SYSTEMATIC NAME: propan-2-ylidenecyclooctane
MOLECULAR FORMULA: C11H20
MOLECULAR WEIGHT: 152.2765
SMILES: CC(=C1CCCCCCC1)C
Structure:
CAS RN: 30717-57-8
CAS Name: N,N-dimethyl-2-thiophenecarboxamide
OPENEYE Name: N,N-dimethylthiophene-2-carboxamide
IUPAC Name: N,N-dimethylthiophene-2-carboxamide
SYSTEMATIC NAME: N,N-dimethylthiophene-2-carboxamide
MOLECULAR FORMULA: C7H9NOS
MOLECULAR WEIGHT: 155.21746
SMILES: CN(C)C(=O)C1=CC=CS1
Structure:
CAS RN: 30711-41-2
CAS Name: 1-thiophen-2-yl-1-octanone
OPENEYE Name: 1-(2-thienyl)octan-1-one
IUPAC Name: 1-thiophen-2-yloctan-1-one
SYSTEMATIC NAME: 1-thiophen-2-yloctan-1-one
MOLECULAR FORMULA: C12H18OS
MOLECULAR WEIGHT: 210.33572
SMILES: CCCCCCCC(=O)C1=CC=CS1
Structure:
CAS RN: 30711-40-1
CAS Name: 1-thiophen-2-yl-1-heptanone
OPENEYE Name: 1-(2-thienyl)heptan-1-one
IUPAC Name: 1-thiophen-2-ylheptan-1-one
SYSTEMATIC NAME: 1-thiophen-2-ylheptan-1-one
MOLECULAR FORMULA: C11H16OS
MOLECULAR WEIGHT: 196.30914
SMILES: CCCCCCC(=O)C1=CC=CS1
Structure:
CAS RN: 30684-06-1
CAS Name: methane; 4-phenyl-1-butanamine
OPENEYE Name: methane; 4-phenylbutan-1-amine
IUPAC Name: methane; 4-phenylbutan-1-amine
SYSTEMATIC NAME: methane; 4-phenylbutan-1-amine
MOLECULAR FORMULA: C11H19N
MOLECULAR WEIGHT: 165.27526
SMILES: C.C1=CC=C(C=C1)CCCCN
Structure:
CAS RN: 30681-90-4
CAS Name: 1,1,2-trimethylsiletane
OPENEYE Name: 1,1,2-trimethylsiletane
IUPAC Name: 1,1,2-trimethylsiletane
SYSTEMATIC NAME: 1,1,2-trimethylsiletane
MOLECULAR FORMULA: C6H14Si
MOLECULAR WEIGHT: 114.26086
SMILES: CC1CC[Si]1(C)C
Structure:
CAS RN: 30651-03-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H20O
MOLECULAR WEIGHT: 204.308
SMILES: C1C2CC3C4C1C5CC(C4)(CC3C5C2)O
Structure:
CAS RN: 30646-57-2
CAS Name: 2,3-dimethylthiirene 1,1-dioxide
OPENEYE Name: 2,3-dimethylthiirene 1,1-dioxide
IUPAC Name: 2,3-dimethylthiirene 1,1-dioxide
SYSTEMATIC NAME: 2,3-dimethylthiirene 1,1-dioxide
MOLECULAR FORMULA: C4H6O2S
MOLECULAR WEIGHT: 118.15424
SMILES: CC1=C(S1(=O)=O)C
Structure:
CAS RN: 30611-20-2
CAS Name: 4-(1-oxopentyl)benzonitrile
OPENEYE Name: 4-pentanoylbenzonitrile
IUPAC Name: 4-pentanoylbenzonitrile
SYSTEMATIC NAME: 4-pentanoylbenzenecarbonitrile
MOLECULAR FORMULA: C12H13NO
MOLECULAR WEIGHT: 187.23772
SMILES: CCCCC(=O)C1=CC=C(C=C1)C#N
Structure:
CAS RN: 30594-15-1
CAS Name: 1-bis(ethenyl)phosphoryloxyethane
OPENEYE Name: 1-divinylphosphoryloxyethane
IUPAC Name: 1-bis(ethenyl)phosphoryloxyethane
SYSTEMATIC NAME: 1-bis(ethenyl)phosphoryloxyethane
MOLECULAR FORMULA: C6H11O2P
MOLECULAR WEIGHT: 146.124101
SMILES: CCOP(=O)(C=C)C=C
Structure:
CAS RN: 30590-60-4
CAS Name: 2,2,7-trimethyl-3H-benzofuran
OPENEYE Name: 2,2,7-trimethyl-3H-benzofuran
IUPAC Name: 2,2,7-trimethyl-3H-1-benzofuran
SYSTEMATIC NAME: 2,2,7-trimethyl-3H-1-benzofuran
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: CC1=CC=CC2=C1OC(C2)(C)C
Structure:
CAS RN: 30572-96-4
CAS Name: cyclodecane-1,2-diol
OPENEYE Name: cyclodecane-1,2-diol
IUPAC Name: cyclodecane-1,2-diol
SYSTEMATIC NAME: cyclodecane-1,2-diol
MOLECULAR FORMULA: C10H20O2
MOLECULAR WEIGHT: 172.2646
SMILES: C1CCCCC(C(CCC1)O)O
Structure:
CAS RN: 30545-28-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H22
MOLECULAR WEIGHT: 202.33518
SMILES: CC12CC3C4CC5CC3C(C1)C(C5)C4C2
Structure:
CAS RN: 30545-24-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H20O
MOLECULAR WEIGHT: 204.308
SMILES: C1C2CC3C4C1C5CC(C4)C(C3C5C2)O
Structure:
CAS RN: 30545-23-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H18O
MOLECULAR WEIGHT: 202.29212
SMILES: C1C2CC3C4C1C5CC(C4)C(=O)C3C5C2
Structure:
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