CAS RN: 54338-54-4
CAS Name: trimethyl-(phenylmethyl)plumbane
OPENEYE Name: benzyl(trimethyl)plumbane
IUPAC Name: benzyl(trimethyl)plumbane
SYSTEMATIC NAME: trimethyl-(phenylmethyl)plumbane
MOLECULAR FORMULA: C10H16Pb
MOLECULAR WEIGHT: 343.43404
SMILES: C[Pb](C)(C)CC1=CC=CC=C1
Structure:
CAS RN: 54290-50-5
CAS Name: 5-(4-fluorophenyl)-3-dithiolethione
OPENEYE Name: 5-(4-fluorophenyl)dithiole-3-thione
IUPAC Name: 5-(4-fluorophenyl)dithiole-3-thione
SYSTEMATIC NAME: 5-(4-fluorophenyl)-1,2-dithiole-3-thione
MOLECULAR FORMULA: C9H5FS3
MOLECULAR WEIGHT: 228.329403
SMILES: C1=CC(=CC=C1C2=CC(=S)SS2)F
Structure:
CAS RN: 54290-41-4
CAS Name: 4,5-dimethylenecyclohexene
OPENEYE Name: 4,5-dimethylenecyclohexene
IUPAC Name: 4,5-dimethylidenecyclohexene
SYSTEMATIC NAME: 4,5-dimethylidenecyclohexene
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: C=C1CC=CCC1=C
Structure:
CAS RN: 54288-04-9
CAS Name: 2,2-bis(2,4,6-trimethylphenyl)ethenol
OPENEYE Name: 2,2-bis(2,4,6-trimethylphenyl)ethenol
IUPAC Name: 2,2-bis(2,4,6-trimethylphenyl)ethenol
SYSTEMATIC NAME: 2,2-bis(2,4,6-trimethylphenyl)ethenol
MOLECULAR FORMULA: C20H24O
MOLECULAR WEIGHT: 280.40396
SMILES: CC1=CC(=C(C(=C1)C)C(=CO)C2=C(C=C(C=C2C)C)C)C
Structure:
CAS RN: 54286-88-3
CAS Name: 1,1-dimethoxy-2-methylbutane
OPENEYE Name: 1,1-dimethoxy-2-methyl-butane
IUPAC Name: 1,1-dimethoxy-2-methylbutane
SYSTEMATIC NAME: 1,1-dimethoxy-2-methyl-butane
MOLECULAR FORMULA: C7H16O2
MOLECULAR WEIGHT: 132.20074
SMILES: CCC(C)C(OC)OC
Structure:
CAS RN: 54253-56-4
CAS Name: N-(methyleneamino)-N-propyl-1-propanamine
OPENEYE Name: N-(methyleneamino)-N-propyl-propan-1-amine
IUPAC Name: N-(methylideneamino)-N-propylpropan-1-amine
SYSTEMATIC NAME: N-(methylideneamino)-N-propyl-propan-1-amine
MOLECULAR FORMULA: C7H16N2
MOLECULAR WEIGHT: 128.21534
SMILES: CCCN(CCC)N=C
Structure:
CAS RN: 54222-83-2
CAS Name: N,N'-bis[(2-aminophenyl)methyl]ethane-1,2-diamine
OPENEYE Name: N,N'-bis[(2-aminophenyl)methyl]ethane-1,2-diamine
IUPAC Name: N,N'-bis[(2-aminophenyl)methyl]ethane-1,2-diamine
SYSTEMATIC NAME: N,N'-bis[(2-aminophenyl)methyl]ethane-1,2-diamine
MOLECULAR FORMULA: C16H22N4
MOLECULAR WEIGHT: 270.37268
SMILES: C1=CC=C(C(=C1)CNCCNCC2=CC=CC=C2N)N
Structure:
CAS RN: 54210-33-2
CAS Name: 1-methyl-5-nitropyrazole
OPENEYE Name: 1-methyl-5-nitro-pyrazole
IUPAC Name: 1-methyl-5-nitropyrazole
SYSTEMATIC NAME: 1-methyl-5-nitro-pyrazole
MOLECULAR FORMULA: C4H5N3O2
MOLECULAR WEIGHT: 127.1014
SMILES: CN1C(=CC=N1)[N+](=O)[O-]
Structure:
CAS RN: 54210-32-1
CAS Name: 1-methyl-3-nitropyrazole
OPENEYE Name: 1-methyl-3-nitro-pyrazole
IUPAC Name: 1-methyl-3-nitropyrazole
SYSTEMATIC NAME: 1-methyl-3-nitro-pyrazole
MOLECULAR FORMULA: C4H5N3O2
MOLECULAR WEIGHT: 127.1014
SMILES: CN1C=CC(=N1)[N+](=O)[O-]
Structure:
CAS RN: 54196-16-6
CAS Name: 2',2',4,4,5',5',6,6-octamethyl-3'-spiro[furo[3,4-d][1,3]oxathiole-2,4'-oxolane]one
OPENEYE Name: 2',2',4,4,5',5',6,6-octamethylspiro[furo[3,4-d][1,3]oxathiole-2,4'-tetrahydrofuran]-3'-one
IUPAC Name: 2',2',4,4,5',5',6,6-octamethylspiro[furo[3,4-d][1,3]oxathiole-2,4'-oxolane]-3'-one
SYSTEMATIC NAME: 2',2',4,4,5',5',6,6-octamethylspiro[furo[3,4-d][1,3]oxathiole-2,4'-oxolane]-3'-one
MOLECULAR FORMULA: C16H24O4S
MOLECULAR WEIGHT: 312.42436
SMILES: CC1(C2=C(C(O1)(C)C)SC3(O2)C(=O)C(OC3(C)C)(C)C)C
Structure:
CAS RN: 54196-15-5
CAS Name: 3,6-dichloro-1,2,4,5-tetramethyl-1,2,4,5,3,6-tetrazadiborinane
OPENEYE Name: 3,6-dichloro-1,2,4,5-tetramethyl-1,2,4,5,3,6-tetrazadiborinane
IUPAC Name: 3,6-dichloro-1,2,4,5-tetramethyl-1,2,4,5,3,6-tetrazadiborinane
SYSTEMATIC NAME: 3,6-bis(chloranyl)-1,2,4,5-tetramethyl-1,2,4,5,3,6-tetrazadiborinane
MOLECULAR FORMULA: C4H12B2Cl2N4
MOLECULAR WEIGHT: 208.69288
SMILES: B1(N(N(B(N(N1C)C)Cl)C)C)Cl
Structure:
CAS RN: 54191-78-5
CAS Name: 1-cyclopenta-2,4-dienylidenemethanethione
OPENEYE Name: cyclopenta-2,4-dien-1-ylidenemethanethione
IUPAC Name: cyclopenta-2,4-dien-1-ylidenemethanethione
SYSTEMATIC NAME: cyclopenta-2,4-dien-1-ylidenemethanethione
MOLECULAR FORMULA: C6H4S
MOLECULAR WEIGHT: 108.16096
SMILES: C1=CC(=C=S)C=C1
Structure:
CAS RN: 54168-23-9
CAS Name: tert-butyl-tert-butylimino-oxidoammonium
OPENEYE Name: tert-butyl-tert-butylimino-oxido-ammonium
IUPAC Name: tert-butyl-tert-butylimino-oxidoazanium
SYSTEMATIC NAME: tert-butyl-tert-butylimino-oxidanidyl-azanium
MOLECULAR FORMULA: C8H18N2O
MOLECULAR WEIGHT: 158.24132
SMILES: CC(C)(C)N=[N+](C(C)(C)C)[O-]
Structure:
CAS RN: 54168-20-6
CAS Name: methoxy(methyl)diazene
OPENEYE Name: methoxy(methyl)diazene
IUPAC Name: methoxy(methyl)diazene
SYSTEMATIC NAME: methoxy(methyl)diazene
MOLECULAR FORMULA: C2H6N2O
MOLECULAR WEIGHT: 74.08184
SMILES: CN=NOC
Structure:
CAS RN: 54166-22-2
CAS Name: 3,3,4,4-tetramethyldiazete
OPENEYE Name: 3,3,4,4-tetramethyldiazete
IUPAC Name: 3,3,4,4-tetramethyldiazete
SYSTEMATIC NAME: 3,3,4,4-tetramethyl-1,2-diazete
MOLECULAR FORMULA: C6H12N2
MOLECULAR WEIGHT: 112.17288
SMILES: CC1(C(N=N1)(C)C)C
Structure:
CAS RN: 54154-16-4
CAS Name: N3,N3,N6,N6,1,2,4,5-octamethyl-1,2,4,5,3,6-tetrazadiborinane-3,6-diamine
OPENEYE Name: N3,N3,N6,N6,1,2,4,5-octamethyl-1,2,4,5,3,6-tetrazadiborinane-3,6-diamine
IUPAC Name: 3-N,3-N,6-N,6-N,1,2,4,5-octamethyl-1,2,4,5,3,6-tetrazadiborinane-3,6-diamine
SYSTEMATIC NAME: N3,N3,N6,N6,1,2,4,5-octamethyl-1,2,4,5,3,6-tetrazadiborinane-3,6-diamine
MOLECULAR FORMULA: C8H24B2N6
MOLECULAR WEIGHT: 225.93836
SMILES: B1(N(N(B(N(N1C)C)N(C)C)C)C)N(C)C
Structure:
CAS RN: 54154-15-3
CAS Name: 3,6-dimethoxy-1,2,4,5-tetramethyl-1,2,4,5,3,6-tetrazadiborinane
OPENEYE Name: 3,6-dimethoxy-1,2,4,5-tetramethyl-1,2,4,5,3,6-tetrazadiborinane
IUPAC Name: 3,6-dimethoxy-1,2,4,5-tetramethyl-1,2,4,5,3,6-tetrazadiborinane
SYSTEMATIC NAME: 3,6-dimethoxy-1,2,4,5-tetramethyl-1,2,4,5,3,6-tetrazadiborinane
MOLECULAR FORMULA: C6H18B2N4O2
MOLECULAR WEIGHT: 199.85472
SMILES: B1(N(N(B(N(N1C)C)OC)C)C)OC
Structure:
CAS RN: 54154-14-2
CAS Name: 1,2,4,5-tetramethyl-3,6-bis(methylthio)-1,2,4,5,3,6-tetrazadiborinane
OPENEYE Name: 1,2,4,5-tetramethyl-3,6-bis(methylsulfanyl)-1,2,4,5,3,6-tetrazadiborinane
IUPAC Name: 1,2,4,5-tetramethyl-3,6-bis(methylsulfanyl)-1,2,4,5,3,6-tetrazadiborinane
SYSTEMATIC NAME: 1,2,4,5-tetramethyl-3,6-bis(methylsulfanyl)-1,2,4,5,3,6-tetrazadiborinane
MOLECULAR FORMULA: C6H18B2N4S2
MOLECULAR WEIGHT: 231.98592
SMILES: B1(N(N(B(N(N1C)C)SC)C)C)SC
Structure:
CAS RN: 54143-35-0
CAS Name: 3,3,6,6-tetramethyl-2-oxidodiazinan-1-ium 1-oxide
OPENEYE Name: 3,3,6,6-tetramethyl-2-oxido-hexahydropyridazin-1-ium 1-oxide
IUPAC Name: 3,3,6,6-tetramethyl-2-oxidodiazinan-1-ium 1-oxide
SYSTEMATIC NAME: 3,3,6,6-tetramethyl-2-oxidanidyl-1,2-diazinan-1-ium 1-oxide
MOLECULAR FORMULA: C8H16N2O2
MOLECULAR WEIGHT: 172.22484
SMILES: CC1(CCC([N+](=O)N1[O-])(C)C)C
Structure:
CAS RN: 54143-34-9
CAS Name: 3,3,6,6-tetramethyl-1-oxido-4,5-dihydropyridazin-1-ium
OPENEYE Name: 3,3,6,6-tetramethyl-1-oxido-4,5-dihydropyridazin-1-ium
IUPAC Name: 3,3,6,6-tetramethyl-1-oxido-4,5-dihydropyridazin-1-ium
SYSTEMATIC NAME: 3,3,6,6-tetramethyl-1-oxidanidyl-4,5-dihydropyridazin-1-ium
MOLECULAR FORMULA: C8H16N2O
MOLECULAR WEIGHT: 156.22544
SMILES: CC1(CCC([N+](=N1)[O-])(C)C)C
Structure:
CAS RN: 54143-31-6
CAS Name: 8-oxido-8-aza-7-azoniabicyclo[4.2.2]decane 7-oxide
OPENEYE Name: 8-oxido-8-aza-7-azoniabicyclo[4.2.2]decane 7-oxide
IUPAC Name: 8-oxido-8-aza-7-azoniabicyclo[4.2.2]decane 7-oxide
SYSTEMATIC NAME: 8-oxidanidyl-8-aza-7-azoniabicyclo[4.2.2]decane 7-oxide
MOLECULAR FORMULA: C8H14N2O2
MOLECULAR WEIGHT: 170.20896
SMILES: C1CCC2CCC(C1)N([N+]2=O)[O-]
Structure:
CAS RN: 54143-30-5
CAS Name: 7-oxido-7-aza-6-azoniabicyclo[3.2.2]nonane 6-oxide
OPENEYE Name: 7-oxido-7-aza-6-azoniabicyclo[3.2.2]nonane 6-oxide
IUPAC Name: 7-oxido-7-aza-6-azoniabicyclo[3.2.2]nonane 6-oxide
SYSTEMATIC NAME: 7-oxidanidyl-7-aza-6-azoniabicyclo[3.2.2]nonane 6-oxide
MOLECULAR FORMULA: C7H12N2O2
MOLECULAR WEIGHT: 156.18238
SMILES: C1CC2CCC(C1)[N+](=O)N2[O-]
Structure:
CAS RN: 54141-88-7
CAS Name: 1,2,3,4-tetratert-butyltetrasiletane
OPENEYE Name: 1,2,3,4-tetratert-butyltetrasiletane
IUPAC Name: 1,2,3,4-tetratert-butyltetrasiletane
SYSTEMATIC NAME: 1,2,3,4-tetratert-butyl-1,2,3,4-tetrasiletane
MOLECULAR FORMULA: C16H40Si4
MOLECULAR WEIGHT: 344.8308
SMILES: CC(C)(C)[SiH]1[SiH]([SiH]([SiH]1C(C)(C)C)C(C)(C)C)C(C)(C)C
Structure:
CAS RN: 54133-31-2
CAS Name: 3-cyclohexylimino-2,2,4,4-tetramethyl-1-cyclobutanone
OPENEYE Name: 3-cyclohexylimino-2,2,4,4-tetramethyl-cyclobutanone
IUPAC Name: 3-cyclohexylimino-2,2,4,4-tetramethylcyclobutan-1-one
SYSTEMATIC NAME: 3-cyclohexylimino-2,2,4,4-tetramethyl-cyclobutan-1-one
MOLECULAR FORMULA: C14H23NO
MOLECULAR WEIGHT: 221.33852
SMILES: CC1(C(=NC2CCCCC2)C(C1=O)(C)C)C
Structure:
CAS RN: 54131-97-4
CAS Name: 3,4-bis(methylthio)cyclobut-3-ene-1,2-dione
OPENEYE Name: 3,4-bis(methylsulfanyl)cyclobut-3-ene-1,2-dione
IUPAC Name: 3,4-bis(methylsulfanyl)cyclobut-3-ene-1,2-dione
SYSTEMATIC NAME: 3,4-bis(methylsulfanyl)cyclobut-3-ene-1,2-dione
MOLECULAR FORMULA: C6H6O2S2
MOLECULAR WEIGHT: 174.24064
SMILES: CSC1=C(C(=O)C1=O)SC
Structure:
CAS RN: 54105-77-0
CAS Name: 2-methylbutylcyclohexane
OPENEYE Name: 2-methylbutylcyclohexane
IUPAC Name: 2-methylbutylcyclohexane
SYSTEMATIC NAME: 2-methylbutylcyclohexane
MOLECULAR FORMULA: C11H22
MOLECULAR WEIGHT: 154.29238
SMILES: CCC(C)CC1CCCCC1
Structure:
CAS RN: 54104-82-4
CAS Name: 1-(4-methylphenyl)pyrrolidine
OPENEYE Name: 1-(p-tolyl)pyrrolidine
IUPAC Name: 1-(4-methylphenyl)pyrrolidine
SYSTEMATIC NAME: 1-(4-methylphenyl)pyrrolidine
MOLECULAR FORMULA: C11H15N
MOLECULAR WEIGHT: 161.2435
SMILES: CC1=CC=C(C=C1)N2CCCC2
Structure:
CAS RN: 54100-59-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H20
MOLECULAR WEIGHT: 260.3728
SMILES: C1CC2=CC3=C4CCC5=C(CC3)C=C1C(=C5)CCC2=C4
Structure:
CAS RN: 54078-53-4
CAS Name: propanoic acid ethoxymethyl ester
OPENEYE Name: ethoxymethyl propanoate
IUPAC Name: ethoxymethyl propanoate
SYSTEMATIC NAME: ethoxymethyl propanoate
MOLECULAR FORMULA: C6H12O3
MOLECULAR WEIGHT: 132.15768
SMILES: CCC(=O)OCOCC
Structure:
CAS RN: 54059-76-6
CAS Name: 4-chloro-2,4-dimethylhexane
OPENEYE Name: 4-chloro-2,4-dimethyl-hexane
IUPAC Name: 4-chloro-2,4-dimethylhexane
SYSTEMATIC NAME: 4-chloranyl-2,4-dimethyl-hexane
MOLECULAR FORMULA: C8H17Cl
MOLECULAR WEIGHT: 148.67358
SMILES: CCC(C)(CC(C)C)Cl
Structure:
CAS RN: 54050-92-9
CAS Name: 6-methyl-3-heptyne
OPENEYE Name: 6-methylhept-3-yne
IUPAC Name: 6-methylhept-3-yne
SYSTEMATIC NAME: 6-methylhept-3-yne
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: CCC#CCC(C)C
Structure:
CAS RN: 53994-42-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H16N2
MOLECULAR WEIGHT: 200.27954
SMILES: C1CCC2(CC1)N3CC4=CN2C(=C3)C=C4
Structure:
CAS RN: 53971-47-4
CAS Name: 2,2,3-trimethylthiirane
OPENEYE Name: 2,2,3-trimethylthiirane
IUPAC Name: 2,2,3-trimethylthiirane
SYSTEMATIC NAME: 2,2,3-trimethylthiirane
MOLECULAR FORMULA: C5H10S
MOLECULAR WEIGHT: 102.1979
SMILES: CC1C(S1)(C)C
Structure:
CAS RN: 53968-86-8
CAS Name: N,N-dimethyl-4-(2,4,4,6,6-pentafluoro-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl)aniline
OPENEYE Name: N,N-dimethyl-4-(2,4,4,6,6-pentafluoro-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl)aniline
IUPAC Name: N,N-dimethyl-4-(2,4,4,6,6-pentafluoro-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl)aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[2,4,4,6,6-pentakis(fluoranyl)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]aniline
MOLECULAR FORMULA: C8H10F5N4P3
MOLECULAR WEIGHT: 350.105099
SMILES: CN(C)C1=CC=C(C=C1)P2(=NP(=NP(=N2)(F)F)(F)F)F
Structure:
CAS RN: 53922-67-1
CAS Name: 1-methoxy-3,5-dimethylcyclohexa-1,4-diene
OPENEYE Name: 1-methoxy-3,5-dimethyl-cyclohexa-1,4-diene
IUPAC Name: 1-methoxy-3,5-dimethylcyclohexa-1,4-diene
SYSTEMATIC NAME: 1-methoxy-3,5-dimethyl-cyclohexa-1,4-diene
MOLECULAR FORMULA: C9H14O
MOLECULAR WEIGHT: 138.20686
SMILES: CC1C=C(CC(=C1)OC)C
Structure:
CAS RN: 53915-73-4
CAS Name: N,N-dimethyl-1-nitromethanamine
OPENEYE Name: N,N-dimethyl-1-nitro-methanamine
IUPAC Name: N,N-dimethyl-1-nitromethanamine
SYSTEMATIC NAME: N,N-dimethyl-1-nitro-methanamine
MOLECULAR FORMULA: C3H8N2O2
MOLECULAR WEIGHT: 104.10782
SMILES: CN(C)C[N+](=O)[O-]
Structure:
CAS RN: 53883-47-9
CAS Name: 5-phenyl-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecan-3-one
OPENEYE Name: 5-phenyl-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecan-3-one
IUPAC Name: 5-phenyl-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecan-3-one
SYSTEMATIC NAME: 5-phenyl-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecan-3-one
MOLECULAR FORMULA: C12H15NO4Si
MOLECULAR WEIGHT: 265.3373
SMILES: C1CO[Si]2(OCCN1CC(=O)O2)C3=CC=CC=C3
Structure:
CAS RN: 53882-81-8
CAS Name: 3-(3-methylphenyl)-3-oxopropanenitrile
OPENEYE Name: 3-(m-tolyl)-3-oxo-propanenitrile
IUPAC Name: 3-(3-methylphenyl)-3-oxopropanenitrile
SYSTEMATIC NAME: 3-(3-methylphenyl)-3-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: CC1=CC=CC(=C1)C(=O)CC#N
Structure:
CAS RN: 53871-26-4
CAS Name: 1-[3-(trifluoromethyl)phenyl]pyrrole
OPENEYE Name: 1-[3-(trifluoromethyl)phenyl]pyrrole
IUPAC Name: 1-[3-(trifluoromethyl)phenyl]pyrrole
SYSTEMATIC NAME: 1-[3-(trifluoromethyl)phenyl]pyrrole
MOLECULAR FORMULA: C11H8F3N
MOLECULAR WEIGHT: 211.18313
SMILES: C1=CN(C=C1)C2=CC=CC(=C2)C(F)(F)F
Structure:
CAS RN: 53863-86-8
CAS Name: 2,5,8-trimethyl-2,3-dihydrophenalen-1-one
OPENEYE Name: 2,5,8-trimethyl-2,3-dihydrophenalen-1-one
IUPAC Name: 2,5,8-trimethyl-2,3-dihydrophenalen-1-one
SYSTEMATIC NAME: 2,5,8-trimethyl-2,3-dihydrophenalen-1-one
MOLECULAR FORMULA: C16H16O
MOLECULAR WEIGHT: 224.29764
SMILES: CC1CC2=CC(=CC3=CC(=CC(=C23)C1=O)C)C
Structure:
CAS RN: 53862-36-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: C1CC2CC1C3C2C4C3C4
Structure:
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