CAS RN: 61011-51-6
CAS Name: 1,2-dimethoxycyclopentane
OPENEYE Name: 1,2-dimethoxycyclopentane
IUPAC Name: 1,2-dimethoxycyclopentane
SYSTEMATIC NAME: 1,2-dimethoxycyclopentane
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: COC1CCCC1OC
Structure:
CAS RN: 29878-05-5
CAS Name: dichloro-(methylthio)borane
OPENEYE Name: dichloro(methylsulfanyl)borane
IUPAC Name: dichloro(methylsulfanyl)borane
SYSTEMATIC NAME: bis(chloranyl)-methylsulfanyl-borane
MOLECULAR FORMULA: CH3BCl2S
MOLECULAR WEIGHT: 128.81652
SMILES: B(SC)(Cl)Cl
Structure:
CAS RN: 29878-02-2
CAS Name: iodo(dimethoxy)borane
OPENEYE Name: iodo(dimethoxy)borane
IUPAC Name: iodo(dimethoxy)borane
SYSTEMATIC NAME: iodanyl(dimethoxy)borane
MOLECULAR FORMULA: C2H6BIO2
MOLECULAR WEIGHT: 199.78331
SMILES: B(OC)(OC)I
Structure:
CAS RN: 29878-00-0
CAS Name: diiodo(methoxy)borane
OPENEYE Name: diiodo(methoxy)borane
IUPAC Name: diiodo(methoxy)borane
SYSTEMATIC NAME: bis(iodanyl)-methoxy-borane
MOLECULAR FORMULA: CH3BI2O
MOLECULAR WEIGHT: 295.65386
SMILES: B(OC)(I)I
Structure:
CAS RN: 29877-99-4
CAS Name: dibromo(methoxy)borane
OPENEYE Name: dibromo(methoxy)borane
IUPAC Name: dibromo(methoxy)borane
SYSTEMATIC NAME: bis(bromanyl)-methoxy-borane
MOLECULAR FORMULA: CH3BBr2O
MOLECULAR WEIGHT: 201.65292
SMILES: B(OC)(Br)Br
Structure:
CAS RN: 29877-98-3
CAS Name: bromo-bis(methylthio)borane
OPENEYE Name: bromo-bis(methylsulfanyl)borane
IUPAC Name: bromo-bis(methylsulfanyl)borane
SYSTEMATIC NAME: bromanyl-bis(methylsulfanyl)borane
MOLECULAR FORMULA: C2H6BBrS2
MOLECULAR WEIGHT: 184.91404
SMILES: B(SC)(SC)Br
Structure:
CAS RN: 29877-96-1
CAS Name: bromo(dimethoxy)borane
OPENEYE Name: bromo(dimethoxy)borane
IUPAC Name: bromo(dimethoxy)borane
SYSTEMATIC NAME: bromanyl(dimethoxy)borane
MOLECULAR FORMULA: C2H6BBrO2
MOLECULAR WEIGHT: 152.78284
SMILES: B(OC)(OC)Br
Structure:
CAS RN: 29877-93-8
CAS Name: chloro(dipropoxy)borane
OPENEYE Name: chloro(dipropoxy)borane
IUPAC Name: chloro(dipropoxy)borane
SYSTEMATIC NAME: chloranyl(dipropoxy)borane
MOLECULAR FORMULA: C6H14BClO2
MOLECULAR WEIGHT: 164.43816
SMILES: B(OCCC)(OCCC)Cl
Structure:
CAS RN: 29877-90-5
CAS Name: fluoro-bis(methylthio)borane
OPENEYE Name: fluoro-bis(methylsulfanyl)borane
IUPAC Name: fluoro-bis(methylsulfanyl)borane
SYSTEMATIC NAME: fluoranyl-bis(methylsulfanyl)borane
MOLECULAR FORMULA: C2H6BFS2
MOLECULAR WEIGHT: 124.008443
SMILES: B(F)(SC)SC
Structure:
CAS RN: 29874-05-3
CAS Name: 2,5-dimethyl-3-thiophenethiol
OPENEYE Name: 2,5-dimethylthiophene-3-thiol
IUPAC Name: 2,5-dimethylthiophene-3-thiol
SYSTEMATIC NAME: 2,5-dimethylthiophene-3-thiol
MOLECULAR FORMULA: C6H8S2
MOLECULAR WEIGHT: 144.25772
SMILES: CC1=CC(=C(S1)C)S
Structure:
CAS RN: 29871-63-4
CAS Name: 2,4-dibromo-2,4-difluoro-1,3,5-triaza-2$l^{5},4$l^{5},6-triphosphacyclohexa-1,3,5-triene; molecular fluorine
OPENEYE Name: 2,4-dibromo-2,4-difluoro-1,3,5-triaza-2$l^{5},4$l^{5},6-triphosphacyclohexa-1,3,5-triene; molecular fluorine
IUPAC Name: 2,4-dibromo-2,4-difluoro-1,3,5-triaza-2$l^{5},4$l^{5},6-triphosphacyclohexa-1,3,5-triene; molecular fluorine
SYSTEMATIC NAME: 2,4-bis(bromanyl)-2,4-bis(fluoranyl)-1,3,5-triaza-2$l^{5},4$l^{5},6-triphosphacyclohexa-1,3,5-triene; molecular fluorine
MOLECULAR FORMULA: Br2F4N3P3
MOLECULAR WEIGHT: 370.742996
SMILES: N1=PN=P(N=P1(F)Br)(F)Br.FF
Structure:
CAS RN: 29871-62-3
CAS Name: 2,4-dichloro-2,4,6,6-tetrafluoro-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
OPENEYE Name: 2,4-dichloro-2,4,6,6-tetrafluoro-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
IUPAC Name: 2,4-dichloro-2,4,6,6-tetrafluoro-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
SYSTEMATIC NAME: 2,4-bis(chloranyl)-2,4,6,6-tetrakis(fluoranyl)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
MOLECULAR FORMULA: Cl2F4N3P3
MOLECULAR WEIGHT: 281.840996
SMILES: N1=P(N=P(N=P1(F)Cl)(F)Cl)(F)F
Structure:
CAS RN: 29871-59-8
CAS Name: 2,4,6-trifluoro-N2,N2,N4,N4,N6,N6-hexamethyl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene-2,4,6-triamine
OPENEYE Name: 2,4,6-trifluoro-N2,N2,N4,N4,N6,N6-hexamethyl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene-2,4,6-triamine
IUPAC Name: 2,4,6-trifluoro-2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene-2,4,6-triamine
SYSTEMATIC NAME: 2,4,6-tris(fluoranyl)-N2,N2,N4,N4,N6,N6-hexamethyl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene-2,4,6-triamine
MOLECULAR FORMULA: C6H18F3N6P3
MOLECULAR WEIGHT: 324.163813
SMILES: CN(C)P1(=NP(=NP(=N1)(N(C)C)F)(N(C)C)F)F
Structure:
CAS RN: 29865-90-5
CAS Name: 3-hydroxy-4,5-dimethoxybenzaldehyde
OPENEYE Name: 3-hydroxy-4,5-dimethoxy-benzaldehyde
IUPAC Name: 3-hydroxy-4,5-dimethoxybenzaldehyde
SYSTEMATIC NAME: 3,4-dimethoxy-5-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C9H10O4
MOLECULAR WEIGHT: 182.1733
SMILES: COC1=CC(=CC(=C1OC)O)C=O
Structure:
CAS RN: 29843-62-7
CAS Name: 2-methyl-5-nonanol
OPENEYE Name: 2-methylnonan-5-ol
IUPAC Name: 2-methylnonan-5-ol
SYSTEMATIC NAME: 2-methylnonan-5-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CCCCC(CCC(C)C)O
Structure:
CAS RN: 29817-09-2
CAS Name: (2-methylenecyclopropyl)benzene
OPENEYE Name: (2-methylenecyclopropyl)benzene
IUPAC Name: (2-methylidenecyclopropyl)benzene
SYSTEMATIC NAME: (2-methylidenecyclopropyl)benzene
MOLECULAR FORMULA: C10H10
MOLECULAR WEIGHT: 130.1864
SMILES: C=C1CC1C2=CC=CC=C2
Structure:
CAS RN: 29804-89-5
CAS Name: 2-chloroethenone
OPENEYE Name: 2-chloroethenone
IUPAC Name: 2-chloroethenone
SYSTEMATIC NAME: 2-chloranylethenone
MOLECULAR FORMULA: C2HClO
MOLECULAR WEIGHT: 76.48174
SMILES: C(=C=O)Cl
Structure:
CAS RN: 29798-87-6
CAS Name: bicyclo[3.1.0]hexane-2,4-dione
OPENEYE Name: bicyclo[3.1.0]hexane-2,4-dione
IUPAC Name: bicyclo[3.1.0]hexane-2,4-dione
SYSTEMATIC NAME: bicyclo[3.1.0]hexane-2,4-dione
MOLECULAR FORMULA: C6H6O2
MOLECULAR WEIGHT: 110.11064
SMILES: C1C2C1C(=O)CC2=O
Structure:
CAS RN: 29791-12-6
CAS Name: 3-methyl-1-butene
OPENEYE Name: 3-methylbut-1-ene
IUPAC Name: 3-methylbut-1-ene
SYSTEMATIC NAME: 3-methylbut-1-ene
MOLECULAR FORMULA: C5H9
MOLECULAR WEIGHT: 69.12496
SMILES: C[C](C)C=C
Structure:
CAS RN: 29776-96-3
CAS Name: hexa-1,2,4,5-tetraene
OPENEYE Name: hexa-1,2,4,5-tetraene
IUPAC Name: hexa-1,2,4,5-tetraene
SYSTEMATIC NAME: hexa-1,2,4,5-tetraene
MOLECULAR FORMULA: C6H6
MOLECULAR WEIGHT: 78.11184
SMILES: C=C=CC=C=C
Structure:
CAS RN: 29765-76-2
CAS Name: 2,6-dimethyl-4-hepta-1,6-dienol
OPENEYE Name: 2,6-dimethylhepta-1,6-dien-4-ol
IUPAC Name: 2,6-dimethylhepta-1,6-dien-4-ol
SYSTEMATIC NAME: 2,6-dimethylhepta-1,6-dien-4-ol
MOLECULAR FORMULA: C9H16O
MOLECULAR WEIGHT: 140.22274
SMILES: CC(=C)CC(CC(=C)C)O
Structure:
CAS RN: 29749-04-0
CAS Name: 2-propaneselenol
OPENEYE Name: propane-2-selenol
IUPAC Name: propane-2-selenol
SYSTEMATIC NAME: propane-2-selenol
MOLECULAR FORMULA: C3H8Se
MOLECULAR WEIGHT: 123.05562
SMILES: CC(C)[SeH]
Structure:
CAS RN: 29743-21-3
CAS Name: N-(4-butylphenyl)-1-[4-[(4-butylphenyl)iminomethyl]phenyl]methanimine
OPENEYE Name: N-(4-butylphenyl)-1-[4-[(4-butylphenyl)iminomethyl]phenyl]methanimine
IUPAC Name: N-(4-butylphenyl)-1-[4-[(4-butylphenyl)iminomethyl]phenyl]methanimine
SYSTEMATIC NAME: N-(4-butylphenyl)-1-[4-[(4-butylphenyl)iminomethyl]phenyl]methanimine
MOLECULAR FORMULA: C28H32N2
MOLECULAR WEIGHT: 396.56708
SMILES: CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C=NC3=CC=C(C=C3)CCCC
Structure:
CAS RN: 29743-18-8
CAS Name: N-(4-ethylphenyl)-1-(4-methoxyphenyl)methanimine
OPENEYE Name: N-(4-ethylphenyl)-1-(4-methoxyphenyl)methanimine
IUPAC Name: N-(4-ethylphenyl)-1-(4-methoxyphenyl)methanimine
SYSTEMATIC NAME: N-(4-ethylphenyl)-1-(4-methoxyphenyl)methanimine
MOLECULAR FORMULA: C16H17NO
MOLECULAR WEIGHT: 239.31228
SMILES: CCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC
Structure:
CAS RN: 29743-12-2
CAS Name: N-(4-butylphenyl)-1-(4-heptoxyphenyl)methanimine
OPENEYE Name: N-(4-butylphenyl)-1-(4-heptoxyphenyl)methanimine
IUPAC Name: N-(4-butylphenyl)-1-(4-heptoxyphenyl)methanimine
SYSTEMATIC NAME: N-(4-butylphenyl)-1-(4-heptoxyphenyl)methanimine
MOLECULAR FORMULA: C24H33NO
MOLECULAR WEIGHT: 351.52492
SMILES: CCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)CCCC
Structure:
CAS RN: 29743-11-1
CAS Name: N-(4-butylphenyl)-1-(4-hexoxyphenyl)methanimine
OPENEYE Name: N-(4-butylphenyl)-1-(4-hexoxyphenyl)methanimine
IUPAC Name: N-(4-butylphenyl)-1-(4-hexoxyphenyl)methanimine
SYSTEMATIC NAME: N-(4-butylphenyl)-1-(4-hexoxyphenyl)methanimine
MOLECULAR FORMULA: C23H31NO
MOLECULAR WEIGHT: 337.49834
SMILES: CCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)CCCC
Structure:
CAS RN: 29743-09-7
CAS Name: 1-(4-butoxyphenyl)-N-(4-butylphenyl)methanimine
OPENEYE Name: 1-(4-butoxyphenyl)-N-(4-butylphenyl)methanimine
IUPAC Name: 1-(4-butoxyphenyl)-N-(4-butylphenyl)methanimine
SYSTEMATIC NAME: 1-(4-butoxyphenyl)-N-(4-butylphenyl)methanimine
MOLECULAR FORMULA: C21H27NO
MOLECULAR WEIGHT: 309.44518
SMILES: CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCCCC
Structure:
CAS RN: 29668-65-3
CAS Name: nitrous acid pent-4-enyl ester
OPENEYE Name: pent-4-enyl nitrite
IUPAC Name: pent-4-enyl nitrite
SYSTEMATIC NAME: pent-4-enyl nitrite
MOLECULAR FORMULA: C5H9NO2
MOLECULAR WEIGHT: 115.13046
SMILES: C=CCCCON=O
Structure:
CAS RN: 29665-46-1
CAS Name: 1-(3-methoxyphenyl)-1-dodecanol
OPENEYE Name: 1-(3-methoxyphenyl)dodecan-1-ol
IUPAC Name: 1-(3-methoxyphenyl)dodecan-1-ol
SYSTEMATIC NAME: 1-(3-methoxyphenyl)dodecan-1-ol
MOLECULAR FORMULA: C19H32O2
MOLECULAR WEIGHT: 292.45618
SMILES: CCCCCCCCCCCC(C1=CC(=CC=C1)OC)O
Structure:
CAS RN: 29650-44-0
CAS Name: acetic acid (2-fluorophenyl) ester
OPENEYE Name: (2-fluorophenyl) acetate
IUPAC Name: (2-fluorophenyl) acetate
SYSTEMATIC NAME: (2-fluorophenyl) ethanoate
MOLECULAR FORMULA: C8H7FO2
MOLECULAR WEIGHT: 154.138383
SMILES: CC(=O)OC1=CC=CC=C1F
Structure:
CAS RN: 29647-03-8
CAS Name: 1,4-bis(isothiocyanatomethyl)cyclohexane
OPENEYE Name: 1,4-bis(isothiocyanatomethyl)cyclohexane
IUPAC Name: 1,4-bis(isothiocyanatomethyl)cyclohexane
SYSTEMATIC NAME: 1,4-bis(isothiocyanatomethyl)cyclohexane
MOLECULAR FORMULA: C10H14N2S2
MOLECULAR WEIGHT: 226.36156
SMILES: C1CC(CCC1CN=C=S)CN=C=S
Structure:
CAS RN: 29639-53-0
CAS Name: 2-methyl-1-cyclohepta-2,4,6-trienone
OPENEYE Name: 2-methylcyclohepta-2,4,6-trien-1-one
IUPAC Name: 2-methylcyclohepta-2,4,6-trien-1-one
SYSTEMATIC NAME: 2-methylcyclohepta-2,4,6-trien-1-one
MOLECULAR FORMULA: C8H8O
MOLECULAR WEIGHT: 120.14852
SMILES: CC1=CC=CC=CC1=O
Structure:
CAS RN: 29634-17-1
CAS Name: 1,2,3-tris(1,1,2,2,2-pentafluoroethyl)triphosphirane
OPENEYE Name: 1,2,3-tris(1,1,2,2,2-pentafluoroethyl)triphosphirane
IUPAC Name: 1,2,3-tris(1,1,2,2,2-pentafluoroethyl)triphosphirane
SYSTEMATIC NAME: 1,2,3-tris[1,1,2,2,2-pentakis(fluoranyl)ethyl]-1,2,3-triphosphirane
MOLECULAR FORMULA: C6F15P3
MOLECULAR WEIGHT: 449.961531
SMILES: C(C(F)(F)P1P(P1C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)(F)(F)F
Structure:
CAS RN: 29585-45-3
CAS Name: nitric acid (2,5,6-trinitrooxy-1-cyclohex-3-enyl) ester
OPENEYE Name: (2,5,6-trinitrooxycyclohex-3-en-1-yl) nitrate
IUPAC Name: (2,5,6-trinitrooxycyclohex-3-en-1-yl) nitrate
SYSTEMATIC NAME: (2,5,6-trinitrooxycyclohex-3-en-1-yl) nitrate
MOLECULAR FORMULA: C6H6N4O12
MOLECULAR WEIGHT: 326.13144
SMILES: C1=CC(C(C(C1O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]
Structure:
CAS RN: 29571-17-3
CAS Name: 1-[4-(1-naphthalenyl)butyl]naphthalene
OPENEYE Name: 1-[4-(1-naphthyl)butyl]naphthalene
IUPAC Name: 1-(4-naphthalen-1-ylbutyl)naphthalene
SYSTEMATIC NAME: 1-(4-naphthalen-1-ylbutyl)naphthalene
MOLECULAR FORMULA: C24H22
MOLECULAR WEIGHT: 310.43148
SMILES: C1=CC=C2C(=C1)C=CC=C2CCCCC3=CC=CC4=CC=CC=C43
Structure:
CAS RN: 29542-62-9
CAS Name: 2-(2-adamantyl)adamantane
OPENEYE Name: 2-(2-adamantyl)adamantane
IUPAC Name: 2-(2-adamantyl)adamantane
SYSTEMATIC NAME: 2-(2-adamantyl)adamantane
MOLECULAR FORMULA: C20H30
MOLECULAR WEIGHT: 270.4522
SMILES: C1C2CC3CC1CC(C2)C3C4C5CC6CC(C5)CC4C6
Structure:
CAS RN: 29530-50-5
CAS Name: (2-methoxy-5-methylphenyl)-(4-nitrophenyl)diazene
OPENEYE Name: (2-methoxy-5-methyl-phenyl)-(4-nitrophenyl)diazene
IUPAC Name: (2-methoxy-5-methylphenyl)-(4-nitrophenyl)diazene
SYSTEMATIC NAME: (2-methoxy-5-methyl-phenyl)-(4-nitrophenyl)diazene
MOLECULAR FORMULA: C14H13N3O3
MOLECULAR WEIGHT: 271.27132
SMILES: CC1=CC(=C(C=C1)OC)N=NC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
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