CAS RN: 54929-09-8
CAS Name: 1-methoxy-4-(2-methylpropoxy)benzene
OPENEYE Name: 1-isobutoxy-4-methoxy-benzene
IUPAC Name: 1-methoxy-4-(2-methylpropoxy)benzene
SYSTEMATIC NAME: 1-methoxy-4-(2-methylpropoxy)benzene
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC(C)COC1=CC=C(C=C1)OC
Structure:
CAS RN: 54929-05-4
CAS Name: N1,N1,N2,N2,4,5-hexamethylbenzene-1,2-diamine
OPENEYE Name: N1,N1,N2,N2,4,5-hexamethylbenzene-1,2-diamine
IUPAC Name: 1-N,1-N,2-N,2-N,4,5-hexamethylbenzene-1,2-diamine
SYSTEMATIC NAME: N1,N1,N2,N2,4,5-hexamethylbenzene-1,2-diamine
MOLECULAR FORMULA: C12H20N2
MOLECULAR WEIGHT: 192.3006
SMILES: CC1=CC(=C(C=C1C)N(C)C)N(C)C
Structure:
CAS RN: 54922-12-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H16
MOLECULAR WEIGHT: 184.27684
SMILES: C1CC2=C(C1)C3=C(CC3)C4=C2CCC4
Structure:
CAS RN: 54911-02-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H20
MOLECULAR WEIGHT: 308.4156
SMILES: C1CC2=CC=CC3=C2C=CC=C3CCC4=CC=CC5=C4C=CC=C51
Structure:
CAS RN: 54890-02-7
CAS Name: 2-cyclohexylbutan-2-ylcyclohexane
OPENEYE Name: (1-cyclohexyl-1-methyl-propyl)cyclohexane
IUPAC Name: 2-cyclohexylbutan-2-ylcyclohexane
SYSTEMATIC NAME: 2-cyclohexylbutan-2-ylcyclohexane
MOLECULAR FORMULA: C16H30
MOLECULAR WEIGHT: 222.4094
SMILES: CCC(C)(C1CCCCC1)C2CCCCC2
Structure:
CAS RN: 54890-01-6
CAS Name: 1-cyclohexylbutan-2-ylcyclohexane
OPENEYE Name: 2-cyclohexylbutylcyclohexane
IUPAC Name: 1-cyclohexylbutan-2-ylcyclohexane
SYSTEMATIC NAME: 1-cyclohexylbutan-2-ylcyclohexane
MOLECULAR FORMULA: C16H30
MOLECULAR WEIGHT: 222.4094
SMILES: CCC(CC1CCCCC1)C2CCCCC2
Structure:
CAS RN: 54890-00-5
CAS Name: 1-cyclohexylbutylcyclohexane
OPENEYE Name: 1-cyclohexylbutylcyclohexane
IUPAC Name: 1-cyclohexylbutylcyclohexane
SYSTEMATIC NAME: 1-cyclohexylbutylcyclohexane
MOLECULAR FORMULA: C16H30
MOLECULAR WEIGHT: 222.4094
SMILES: CCCC(C1CCCCC1)C2CCCCC2
Structure:
CAS RN: 54884-99-0
CAS Name: 6-(phenylmethyl)quinoline
OPENEYE Name: 6-benzylquinoline
IUPAC Name: 6-benzylquinoline
SYSTEMATIC NAME: 6-(phenylmethyl)quinoline
MOLECULAR FORMULA: C16H13N
MOLECULAR WEIGHT: 219.28112
SMILES: C1=CC=C(C=C1)CC2=CC3=C(C=C2)N=CC=C3
Structure:
CAS RN: 54867-58-2
CAS Name: diethyl-propoxy-sulfanylidenephosphorane
OPENEYE Name: diethyl-propoxy-thioxo-$l^{5}-phosphane
IUPAC Name: diethyl-propoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: diethyl-propoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C7H17OPS
MOLECULAR WEIGHT: 180.248041
SMILES: CCCOP(=S)(CC)CC
Structure:
CAS RN: 54856-36-9
CAS Name: 2-(sulfanylidenemethylidene)propanedinitrile
OPENEYE Name: 2-(thioxomethylene)propanedinitrile
IUPAC Name: 2-(sulfanylidenemethylidene)propanedinitrile
SYSTEMATIC NAME: 2-(sulfanylidenemethylidene)propanedinitrile
MOLECULAR FORMULA: C4N2S
MOLECULAR WEIGHT: 108.1212
SMILES: C(=C(C#N)C#N)=S
Structure:
CAS RN: 54833-34-0
CAS Name: 2-(cyclohexylmethyl)butylcyclohexane
OPENEYE Name: 2-(cyclohexylmethyl)butylcyclohexane
IUPAC Name: 2-(cyclohexylmethyl)butylcyclohexane
SYSTEMATIC NAME: 2-(cyclohexylmethyl)butylcyclohexane
MOLECULAR FORMULA: C17H32
MOLECULAR WEIGHT: 236.43598
SMILES: CCC(CC1CCCCC1)CC2CCCCC2
Structure:
CAS RN: 54833-31-7
CAS Name: 5-cyclohexylpentylcyclohexane
OPENEYE Name: 5-cyclohexylpentylcyclohexane
IUPAC Name: 5-cyclohexylpentylcyclohexane
SYSTEMATIC NAME: 5-cyclohexylpentylcyclohexane
MOLECULAR FORMULA: C17H32
MOLECULAR WEIGHT: 236.43598
SMILES: C1CCC(CC1)CCCCCC2CCCCC2
Structure:
CAS RN: 54833-30-6
CAS Name: 1-cyclohexylpentylcyclohexane
OPENEYE Name: 1-cyclohexylpentylcyclohexane
IUPAC Name: 1-cyclohexylpentylcyclohexane
SYSTEMATIC NAME: 1-cyclohexylpentylcyclohexane
MOLECULAR FORMULA: C17H32
MOLECULAR WEIGHT: 236.43598
SMILES: CCCCC(C1CCCCC1)C2CCCCC2
Structure:
CAS RN: 54824-83-8
CAS Name: 3,7,10-trimethyl-5-phenyl-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
OPENEYE Name: 3,7,10-trimethyl-5-phenyl-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
IUPAC Name: 3,7,10-trimethyl-5-phenyl-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
SYSTEMATIC NAME: 3,7,10-trimethyl-5-phenyl-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
MOLECULAR FORMULA: C15H23NO3Si
MOLECULAR WEIGHT: 293.43352
SMILES: CC1CN2CC(O[Si](O1)(OC(C2)C)C3=CC=CC=C3)C
Structure:
CAS RN: 54824-04-3
CAS Name: 1-(cyclohexylmethyl)-2-methylcyclohexane
OPENEYE Name: 1-(cyclohexylmethyl)-2-methyl-cyclohexane
IUPAC Name: 1-(cyclohexylmethyl)-2-methylcyclohexane
SYSTEMATIC NAME: 1-(cyclohexylmethyl)-2-methyl-cyclohexane
MOLECULAR FORMULA: C14H26
MOLECULAR WEIGHT: 194.35624
SMILES: CC1CCCCC1CC2CCCCC2
Structure:
CAS RN: 54823-97-1
CAS Name: 1-(cyclohexylmethyl)-4-methylcyclohexane
OPENEYE Name: 1-(cyclohexylmethyl)-4-methyl-cyclohexane
IUPAC Name: 1-(cyclohexylmethyl)-4-methylcyclohexane
SYSTEMATIC NAME: 1-(cyclohexylmethyl)-4-methyl-cyclohexane
MOLECULAR FORMULA: C14H26
MOLECULAR WEIGHT: 194.35624
SMILES: CC1CCC(CC1)CC2CCCCC2
Structure:
CAS RN: 54823-96-0
CAS Name: 1-(cyclohexylmethyl)-3-methylcyclohexane
OPENEYE Name: 1-(cyclohexylmethyl)-3-methyl-cyclohexane
IUPAC Name: 1-(cyclohexylmethyl)-3-methylcyclohexane
SYSTEMATIC NAME: 1-(cyclohexylmethyl)-3-methyl-cyclohexane
MOLECULAR FORMULA: C14H26
MOLECULAR WEIGHT: 194.35624
SMILES: CC1CCCC(C1)CC2CCCCC2
Structure:
CAS RN: 54818-77-8
CAS Name: 5-chloro-1-methoxy-2-pyridinimine
OPENEYE Name: 5-chloro-1-methoxy-pyridin-2-imine
IUPAC Name: 5-chloro-1-methoxypyridin-2-imine
SYSTEMATIC NAME: 5-chloranyl-1-methoxy-pyridin-2-imine
MOLECULAR FORMULA: C6H7ClN2O
MOLECULAR WEIGHT: 158.58558
SMILES: CON1C=C(C=CC1=N)Cl
Structure:
CAS RN: 54818-76-7
CAS Name: 1-methoxy-2-pyridinimine
OPENEYE Name: 1-methoxypyridin-2-imine
IUPAC Name: 1-methoxypyridin-2-imine
SYSTEMATIC NAME: 1-methoxypyridin-2-imine
MOLECULAR FORMULA: C6H8N2O
MOLECULAR WEIGHT: 124.14052
SMILES: CON1C=CC=CC1=N
Structure:
CAS RN: 54813-56-8
CAS Name: 4-(1-phenylethenyl)pyridine
OPENEYE Name: 4-(1-phenylvinyl)pyridine
IUPAC Name: 4-(1-phenylethenyl)pyridine
SYSTEMATIC NAME: 4-(1-phenylethenyl)pyridine
MOLECULAR FORMULA: C13H11N
MOLECULAR WEIGHT: 181.23314
SMILES: C=C(C1=CC=CC=C1)C2=CC=NC=C2
Structure:
CAS RN: 54798-92-4
CAS Name: 2-phenyl-5-tetrazolecarboxylic acid
OPENEYE Name: 2-phenyltetrazole-5-carboxylic acid
IUPAC Name: 2-phenyltetrazole-5-carboxylic acid
SYSTEMATIC NAME: 2-phenyl-1,2,3,4-tetrazole-5-carboxylic acid
MOLECULAR FORMULA: C8H6N4O2
MOLECULAR WEIGHT: 190.15884
SMILES: C1=CC=C(C=C1)N2N=C(N=N2)C(=O)O
Structure:
CAS RN: 54781-93-0
CAS Name: 1H-indole-2,3-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 1H-indole-2,3-dicarboxylate
IUPAC Name: dimethyl 1H-indole-2,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 1H-indole-2,3-dicarboxylate
MOLECULAR FORMULA: C12H11NO4
MOLECULAR WEIGHT: 233.22004
SMILES: COC(=O)C1=C(NC2=CC=CC=C21)C(=O)OC
Structure:
CAS RN: 54770-19-3
CAS Name: 3,4-dimethyl-1H-1,2,4-triazol-5-one
OPENEYE Name: 3,4-dimethyl-1H-1,2,4-triazol-5-one
IUPAC Name: 3,4-dimethyl-1H-1,2,4-triazol-5-one
SYSTEMATIC NAME: 3,4-dimethyl-1H-1,2,4-triazol-5-one
MOLECULAR FORMULA: C4H7N3O
MOLECULAR WEIGHT: 113.11788
SMILES: CC1=NNC(=O)N1C
Structure:
CAS RN: 54739-35-4
CAS Name: 2',2',4,4,5',5',6,6-octamethyl-3'-spiro[furo[3,4-d][1,3]oxathiole-2,4'-oxolane]ol
OPENEYE Name: 2',2',4,4,5',5',6,6-octamethylspiro[furo[3,4-d][1,3]oxathiole-2,4'-tetrahydrofuran]-3'-ol
IUPAC Name: 2',2',4,4,5',5',6,6-octamethylspiro[furo[3,4-d][1,3]oxathiole-2,4'-oxolane]-3'-ol
SYSTEMATIC NAME: 2',2',4,4,5',5',6,6-octamethylspiro[furo[3,4-d][1,3]oxathiole-2,4'-oxolane]-3'-ol
MOLECULAR FORMULA: C16H26O4S
MOLECULAR WEIGHT: 314.44024
SMILES: CC1(C(C2(C(O1)(C)C)OC3=C(S2)C(OC3(C)C)(C)C)O)C
Structure:
CAS RN: 54722-72-4
CAS Name: 2-tert-butyloxazinane
OPENEYE Name: 2-tert-butyloxazinane
IUPAC Name: 2-tert-butyloxazinane
SYSTEMATIC NAME: 2-tert-butyl-1,2-oxazinane
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CC(C)(C)N1CCCCO1
Structure:
CAS RN: 54711-39-6
CAS Name: 7-(diethylamino)-2-oxo-1-benzopyran-3-carboxaldehyde
OPENEYE Name: 7-(diethylamino)-2-oxo-chromene-3-carbaldehyde
IUPAC Name: 7-(diethylamino)-2-oxochromene-3-carbaldehyde
SYSTEMATIC NAME: 7-(diethylamino)-2-oxidanylidene-chromene-3-carbaldehyde
MOLECULAR FORMULA: C14H15NO3
MOLECULAR WEIGHT: 245.2738
SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C=O
Structure:
CAS RN: 54699-14-8
CAS Name: 1,1,1-trideuterio-3,3-dimethyl-2-butanone
OPENEYE Name: 1,1,1-trideuterio-3,3-dimethyl-butan-2-one
IUPAC Name: 1,1,1-trideuterio-3,3-dimethylbutan-2-one
SYSTEMATIC NAME: 1,1,1-trideuterio-3,3-dimethyl-butan-2-one
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 103.177365
SMILES: [2H]C([2H])([2H])C(=O)C(C)(C)C
Structure:
CAS RN: 54697-52-8
CAS Name: 2,3-dimethylthiirane 1,1-dioxide
OPENEYE Name: 2,3-dimethylthiirane 1,1-dioxide
IUPAC Name: 2,3-dimethylthiirane 1,1-dioxide
SYSTEMATIC NAME: 2,3-dimethylthiirane 1,1-dioxide
MOLECULAR FORMULA: C4H8O2S
MOLECULAR WEIGHT: 120.17012
SMILES: CC1C(S1(=O)=O)C
Structure:
CAS RN: 54680-52-3
CAS Name: nitrosoethene
OPENEYE Name: nitrosoethylene
IUPAC Name: nitrosoethene
SYSTEMATIC NAME: nitrosoethene
MOLECULAR FORMULA: C2H3NO
MOLECULAR WEIGHT: 57.05132
SMILES: C=CN=O
Structure:
CAS RN: 54660-04-7
CAS Name: 1-(4-methoxyphenyl)pyrrolidine
OPENEYE Name: 1-(4-methoxyphenyl)pyrrolidine
IUPAC Name: 1-(4-methoxyphenyl)pyrrolidine
SYSTEMATIC NAME: 1-(4-methoxyphenyl)pyrrolidine
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: COC1=CC=C(C=C1)N2CCCC2
Structure:
CAS RN: 54597-36-3
CAS Name: barium(2+); hydride; oxido(oxo)borane
OPENEYE Name: barium(2+); hydride; oxido(oxo)borane
IUPAC Name: barium(2+); hydride; oxido(oxo)borane
SYSTEMATIC NAME: barium(2+); hydride; oxidanidyl(oxidanylidene)borane
MOLECULAR FORMULA: BBaHO2
MOLECULAR WEIGHT: 181.14474
SMILES: [H-].B(=O)[O-].[Ba+2]
Structure:
CAS RN: 54580-23-3
CAS Name: 2,5-dimethyl-3,4-di(propan-2-yl)hexa-2,4-diene
OPENEYE Name: 3,4-diisopropyl-2,5-dimethyl-hexa-2,4-diene
IUPAC Name: 2,5-dimethyl-3,4-di(propan-2-yl)hexa-2,4-diene
SYSTEMATIC NAME: 2,5-dimethyl-3,4-di(propan-2-yl)hexa-2,4-diene
MOLECULAR FORMULA: C14H26
MOLECULAR WEIGHT: 194.35624
SMILES: CC(C)C(=C(C)C)C(=C(C)C)C(C)C
Structure:
CAS RN: 54580-22-2
CAS Name: 2,5-dimethyl-4-propan-2-yl-3-propan-2-ylidenehexa-1,4-diene
OPENEYE Name: 4-isopropyl-3-isopropylidene-2,5-dimethyl-hexa-1,4-diene
IUPAC Name: 2,5-dimethyl-4-propan-2-yl-3-propan-2-ylidenehexa-1,4-diene
SYSTEMATIC NAME: 2,5-dimethyl-4-propan-2-yl-3-propan-2-ylidene-hexa-1,4-diene
MOLECULAR FORMULA: C14H24
MOLECULAR WEIGHT: 192.34036
SMILES: CC(C)C(=C(C)C)C(=C(C)C)C(=C)C
Structure:
CAS RN: 54576-42-0
CAS Name: 2-(propan-2-ylthio)ethylbenzene
OPENEYE Name: 2-isopropylsulfanylethylbenzene
IUPAC Name: 2-propan-2-ylsulfanylethylbenzene
SYSTEMATIC NAME: 2-propan-2-ylsulfanylethylbenzene
MOLECULAR FORMULA: C11H16S
MOLECULAR WEIGHT: 180.30974
SMILES: CC(C)SCCC1=CC=CC=C1
Structure:
CAS RN: 54564-58-8
CAS Name: 2-methyl-3-phenyl-1-cycloprop-2-enecarboxylic acid methyl ester
OPENEYE Name: methyl 2-methyl-3-phenyl-cycloprop-2-ene-1-carboxylate
IUPAC Name: methyl 2-methyl-3-phenylcycloprop-2-ene-1-carboxylate
SYSTEMATIC NAME: methyl 2-methyl-3-phenyl-cycloprop-2-ene-1-carboxylate
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: CC1=C(C1C(=O)OC)C2=CC=CC=C2
Structure:
CAS RN: 54532-97-7
CAS Name: 1-butyl-2-phenylbenzene
OPENEYE Name: 1-butyl-2-phenyl-benzene
IUPAC Name: 1-butyl-2-phenylbenzene
SYSTEMATIC NAME: 1-butyl-2-phenyl-benzene
MOLECULAR FORMULA: C16H18
MOLECULAR WEIGHT: 210.31412
SMILES: CCCCC1=CC=CC=C1C2=CC=CC=C2
Structure:
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