CAS RN: 31563-51-6
CAS Name: 4-chloro-3-heptyloxane
OPENEYE Name: 4-chloro-3-heptyl-tetrahydropyran
IUPAC Name: 4-chloro-3-heptyloxane
SYSTEMATIC NAME: 4-chloranyl-3-heptyl-oxane
MOLECULAR FORMULA: C12H23ClO
MOLECULAR WEIGHT: 218.76342
SMILES: CCCCCCCC1COCCC1Cl
Structure:
CAS RN: 31561-59-8
CAS Name: trispiro[2.0.2^{4}.0.2^{7}.0^{3}]nonane
OPENEYE Name: trispiro[2.0.2^{4}.0.2^{7}.0^{3}]nonane
IUPAC Name: trispiro[2.0.2^{4}.0.2^{7}.0^{3}]nonane
SYSTEMATIC NAME: trispiro[2.0.2^{4}.0.2^{7}.0^{3}]nonane
MOLECULAR FORMULA: C9H12
MOLECULAR WEIGHT: 120.19158
SMILES: C1CC12C3(C24CC4)CC3
Structure:
CAS RN: 31517-61-0
CAS Name: 4,8-dimethylbicyclo[3.3.1]nona-3,7-diene-2,6-dione
OPENEYE Name: 4,8-dimethylbicyclo[3.3.1]nona-3,7-diene-2,6-dione
IUPAC Name: 4,8-dimethylbicyclo[3.3.1]nona-3,7-diene-2,6-dione
SYSTEMATIC NAME: 4,8-dimethylbicyclo[3.3.1]nona-3,7-diene-2,6-dione
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CC1=CC(=O)C2CC1C(=O)C=C2C
Structure:
CAS RN: 31508-12-0
CAS Name: non-1-en-4-yne
OPENEYE Name: non-1-en-4-yne
IUPAC Name: non-1-en-4-yne
SYSTEMATIC NAME: non-1-en-4-yne
MOLECULAR FORMULA: C9H14
MOLECULAR WEIGHT: 122.20746
SMILES: CCCCC#CCC=C
Structure:
CAS RN: 31488-71-8
CAS Name: 1,3-dimethyl-2-methylenebenzimidazole
OPENEYE Name: 1,3-dimethyl-2-methylene-benzimidazole
IUPAC Name: 1,3-dimethyl-2-methylidenebenzimidazole
SYSTEMATIC NAME: 1,3-dimethyl-2-methylidene-benzimidazole
MOLECULAR FORMULA: C10H12N2
MOLECULAR WEIGHT: 160.21568
SMILES: CN1C(=C)N(C2=CC=CC=C21)C
Structure:
CAS RN: 31479-19-3
CAS Name: pentafluoroplutonium
OPENEYE Name: pentafluoroplutonium
IUPAC Name: pentafluoroplutonium
SYSTEMATIC NAME: pentakis(fluoranyl)plutonium
MOLECULAR FORMULA: F5Pu
MOLECULAR WEIGHT: 339.056214
SMILES: F[Pu](F)(F)(F)F
Structure:
CAS RN: 31463-35-1
CAS Name: 7-methylenebicyclo[2.2.1]heptane
OPENEYE Name: 7-methylenenorbornane
IUPAC Name: 7-methylidenebicyclo[2.2.1]heptane
SYSTEMATIC NAME: 7-methylidenebicyclo[2.2.1]heptane
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C=C1C2CCC1CC2
Structure:
CAS RN: 31405-07-9
CAS Name: 4-bromo-3,7-dimethyl-1$l^{4},2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
OPENEYE Name: 4-bromo-3,7-dimethyl-1$l^{4},2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
IUPAC Name: 4-bromo-3,7-dimethyl-1$l^{4},2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
SYSTEMATIC NAME: 4-bromanyl-3,7-dimethyl-1$l^{4},2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
MOLECULAR FORMULA: C7H7BrS3
MOLECULAR WEIGHT: 267.22948
SMILES: CC1=CC2=S(S1)SC(=C2Br)C
Structure:
CAS RN: 31401-34-0
CAS Name: (4-butylphenyl)-(4-ethoxyphenyl)diazene
OPENEYE Name: (4-butylphenyl)-(4-ethoxyphenyl)diazene
IUPAC Name: (4-butylphenyl)-(4-ethoxyphenyl)diazene
SYSTEMATIC NAME: (4-butylphenyl)-(4-ethoxyphenyl)diazene
MOLECULAR FORMULA: C18H22N2O
MOLECULAR WEIGHT: 282.38008
SMILES: CCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCC
Structure:
CAS RN: 31357-72-9
CAS Name: 5-bicyclo[3.1.0]hexanecarbonitrile
OPENEYE Name: bicyclo[3.1.0]hexane-5-carbonitrile
IUPAC Name: bicyclo[3.1.0]hexane-5-carbonitrile
SYSTEMATIC NAME: bicyclo[3.1.0]hexane-5-carbonitrile
MOLECULAR FORMULA: C7H9N
MOLECULAR WEIGHT: 107.15306
SMILES: C1CC2CC2(C1)C#N
Structure:
CAS RN: 31357-71-8
CAS Name: 4-bicyclo[2.1.0]pentanecarbonitrile
OPENEYE Name: bicyclo[2.1.0]pentane-4-carbonitrile
IUPAC Name: bicyclo[2.1.0]pentane-4-carbonitrile
SYSTEMATIC NAME: bicyclo[2.1.0]pentane-4-carbonitrile
MOLECULAR FORMULA: C6H7N
MOLECULAR WEIGHT: 93.12648
SMILES: C1CC2(C1C2)C#N
Structure:
CAS RN: 31294-93-6
CAS Name: 4-iodoheptane
OPENEYE Name: 4-iodoheptane
IUPAC Name: 4-iodoheptane
SYSTEMATIC NAME: 4-iodanylheptane
MOLECULAR FORMULA: C7H15I
MOLECULAR WEIGHT: 226.09847
SMILES: CCCC(CCC)I
Structure:
CAS RN: 31270-74-3
CAS Name: 2-(3-thiophenylmethyl)thiophene
OPENEYE Name: 2-(3-thienylmethyl)thiophene
IUPAC Name: 2-(thiophen-3-ylmethyl)thiophene
SYSTEMATIC NAME: 2-(thiophen-3-ylmethyl)thiophene
MOLECULAR FORMULA: C9H8S2
MOLECULAR WEIGHT: 180.28982
SMILES: C1=CSC(=C1)CC2=CSC=C2
Structure:
CAS RN: 31247-21-9
CAS Name: 2,3-diphenylthiirene 1-oxide
OPENEYE Name: 2,3-diphenylthiirene 1-oxide
IUPAC Name: 2,3-diphenylthiirene 1-oxide
SYSTEMATIC NAME: 2,3-diphenylthiirene 1-oxide
MOLECULAR FORMULA: C14H10OS
MOLECULAR WEIGHT: 226.2936
SMILES: C1=CC=C(C=C1)C2=C(S2=O)C3=CC=CC=C3
Structure:
CAS RN: 31211-08-2
CAS Name: 2,2,4-trimethylbicyclo[2.2.1]heptane-3,6-dione
OPENEYE Name: 1,3,3-trimethylnorbornane-2,5-dione
IUPAC Name: 2,2,4-trimethylbicyclo[2.2.1]heptane-3,6-dione
SYSTEMATIC NAME: 2,2,4-trimethylbicyclo[2.2.1]heptane-3,6-dione
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: CC1(C2CC(C1=O)(CC2=O)C)C
Structure:
CAS RN: 31174-04-6
CAS Name: 2-furancarbonyl fluoride
OPENEYE Name: furan-2-carbonyl fluoride
IUPAC Name: furan-2-carbonyl fluoride
SYSTEMATIC NAME: furan-2-carbonyl fluoride
MOLECULAR FORMULA: C5H3FO2
MOLECULAR WEIGHT: 114.074523
SMILES: C1=COC(=C1)C(=O)F
Structure:
CAS RN: 31173-90-7
CAS Name: 1,4-di(pentan-3-yl)benzene
OPENEYE Name: 1,4-bis(1-ethylpropyl)benzene
IUPAC Name: 1,4-di(pentan-3-yl)benzene
SYSTEMATIC NAME: 1,4-di(pentan-3-yl)benzene
MOLECULAR FORMULA: C16H26
MOLECULAR WEIGHT: 218.37764
SMILES: CCC(CC)C1=CC=C(C=C1)C(CC)CC
Structure:
CAS RN: 31158-25-5
CAS Name: (1-phenyl-1-cyclohex-2-enyl)benzene
OPENEYE Name: (1-phenylcyclohex-2-en-1-yl)benzene
IUPAC Name: (1-phenylcyclohex-2-en-1-yl)benzene
SYSTEMATIC NAME: (1-phenylcyclohex-2-en-1-yl)benzene
MOLECULAR FORMULA: C18H18
MOLECULAR WEIGHT: 234.33552
SMILES: C1CC=CC(C1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 31121-06-9
CAS Name: 2-methoxy-1,3,2-dioxaphosphorinane
OPENEYE Name: 2-methoxy-1,3,2-dioxaphosphinane
IUPAC Name: 2-methoxy-1,3,2-dioxaphosphinane
SYSTEMATIC NAME: 2-methoxy-1,3,2-dioxaphosphinane
MOLECULAR FORMULA: C4H9O3P
MOLECULAR WEIGHT: 136.086221
SMILES: COP1OCCCO1
Structure:
CAS RN: 31081-59-1
CAS Name: methanesulfonic acid octadecyl ester
OPENEYE Name: octadecyl methanesulfonate
IUPAC Name: octadecyl methanesulfonate
SYSTEMATIC NAME: octadecyl methanesulfonate
MOLECULAR FORMULA: C19H40O3S
MOLECULAR WEIGHT: 348.5841
SMILES: CCCCCCCCCCCCCCCCCCOS(=O)(=O)C
Structure:
CAS RN: 31081-14-8
CAS Name: 1,1,2-trimethylguanidine
OPENEYE Name: 1,1,2-trimethylguanidine
IUPAC Name: 1,1,2-trimethylguanidine
SYSTEMATIC NAME: 1,1,2-trimethylguanidine
MOLECULAR FORMULA: C4H11N3
MOLECULAR WEIGHT: 101.15024
SMILES: CN=C(N)N(C)C
Structure:
CAS RN: 31081-41-1
CAS Name: 1,1,2-trimethylguanidine
OPENEYE Name: 1,1,2-trimethylguanidine
IUPAC Name: 1,1,2-trimethylguanidine
SYSTEMATIC NAME: 1,1,2-trimethylguanidine
MOLECULAR FORMULA: C4H11N3
MOLECULAR WEIGHT: 101.15024
SMILES: CN=C(N)N(C)C
Structure:
CAS RN: 31081-16-0
CAS Name: 1,1,2,3-tetramethylguanidine
OPENEYE Name: 1,1,2,3-tetramethylguanidine
IUPAC Name: 1,1,2,3-tetramethylguanidine
SYSTEMATIC NAME: 1,1,2,3-tetramethylguanidine
MOLECULAR FORMULA: C5H13N3
MOLECULAR WEIGHT: 115.17682
SMILES: CNC(=NC)N(C)C
Structure:
CAS RN: 115626-83-0
CAS Name: (N-oxidoanilino)-oxo-phenylammonium
OPENEYE Name: (N-oxidoanilino)-oxo-phenyl-ammonium
IUPAC Name: (N-oxidoanilino)-oxo-phenylazanium
SYSTEMATIC NAME: [oxidanidyl(phenyl)amino]-oxidanylidene-phenyl-azanium
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: C1=CC=C(C=C1)N([N+](=O)C2=CC=CC=C2)[O-]
Structure:
CAS RN: 31077-80-2
CAS Name: (N-oxidoanilino)-oxo-phenylammonium
OPENEYE Name: (N-oxidoanilino)-oxo-phenyl-ammonium
IUPAC Name: (N-oxidoanilino)-oxo-phenylazanium
SYSTEMATIC NAME: [oxidanidyl(phenyl)amino]-oxidanylidene-phenyl-azanium
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: C1=CC=C(C=C1)N([N+](=O)C2=CC=CC=C2)[O-]
Structure:
CAS RN: 35506-28-6
CAS Name: (N-oxidoanilino)-oxo-phenylammonium
OPENEYE Name: (N-oxidoanilino)-oxo-phenyl-ammonium
IUPAC Name: (N-oxidoanilino)-oxo-phenylazanium
SYSTEMATIC NAME: [oxidanidyl(phenyl)amino]-oxidanylidene-phenyl-azanium
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: C1=CC=C(C=C1)N([N+](=O)C2=CC=CC=C2)[O-]
Structure:
CAS RN: 31061-58-2
CAS Name: 2-(trimethylammonio)phenolate
OPENEYE Name: 2-(trimethylammonio)phenolate
IUPAC Name: 2-(trimethylazaniumyl)phenolate
SYSTEMATIC NAME: 2-(trimethylazaniumyl)phenolate
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: C[N+](C)(C)C1=CC=CC=C1[O-]
Structure:
CAS RN: 31053-55-1
CAS Name: 2-methoxy-5-methylthiophene
OPENEYE Name: 2-methoxy-5-methyl-thiophene
IUPAC Name: 2-methoxy-5-methylthiophene
SYSTEMATIC NAME: 2-methoxy-5-methyl-thiophene
MOLECULAR FORMULA: C6H8OS
MOLECULAR WEIGHT: 128.19212
SMILES: CC1=CC=C(S1)OC
Structure:
CAS RN: 31053-54-0
CAS Name: 2-(methylthio)selenophene
OPENEYE Name: 2-methylsulfanylselenophene
IUPAC Name: 2-methylsulfanylselenophene
SYSTEMATIC NAME: 2-methylsulfanylselenophene
MOLECULAR FORMULA: C5H6SSe
MOLECULAR WEIGHT: 177.12614
SMILES: CSC1=CC=C[Se]1
Structure:
CAS RN: 31053-09-5
CAS Name: 2-ethyl-2,2-difluoro-1,3-dimethyl-1,3,2$l^{5}-diazaphosphetidin-4-one
OPENEYE Name: 2-ethyl-2,2-difluoro-1,3-dimethyl-1,3,2$l^{5}-diazaphosphetidin-4-one
IUPAC Name: 2-ethyl-2,2-difluoro-1,3-dimethyl-1,3,2$l^{5}-diazaphosphetidin-4-one
SYSTEMATIC NAME: 2-ethyl-2,2-bis(fluoranyl)-1,3-dimethyl-1,3,2$l^{5}-diazaphosphetidin-4-one
MOLECULAR FORMULA: C5H11F2N2OP
MOLECULAR WEIGHT: 184.124207
SMILES: CCP1(N(C(=O)N1C)C)(F)F
Structure:
CAS RN: 31053-08-4
CAS Name: 2,2-difluoro-1,2,3-trimethyl-1,3,2$l^{5}-diazaphosphetidin-4-one
OPENEYE Name: 2,2-difluoro-1,2,3-trimethyl-1,3,2$l^{5}-diazaphosphetidin-4-one
IUPAC Name: 2,2-difluoro-1,2,3-trimethyl-1,3,2$l^{5}-diazaphosphetidin-4-one
SYSTEMATIC NAME: 2,2-bis(fluoranyl)-1,2,3-trimethyl-1,3,2$l^{5}-diazaphosphetidin-4-one
MOLECULAR FORMULA: C4H9F2N2OP
MOLECULAR WEIGHT: 170.097627
SMILES: CN1C(=O)N(P1(C)(F)F)C
Structure:
CAS RN: 31053-07-3
CAS Name: 2-ethyl-2,2-difluoro-1-methyl-3-phenyl-1,3,2$l^{5}-diazaphosphetidin-4-one
OPENEYE Name: 2-ethyl-2,2-difluoro-1-methyl-3-phenyl-1,3,2$l^{5}-diazaphosphetidin-4-one
IUPAC Name: 2-ethyl-2,2-difluoro-1-methyl-3-phenyl-1,3,2$l^{5}-diazaphosphetidin-4-one
SYSTEMATIC NAME: 2-ethyl-2,2-bis(fluoranyl)-1-methyl-3-phenyl-1,3,2$l^{5}-diazaphosphetidin-4-one
MOLECULAR FORMULA: C10H13F2N2OP
MOLECULAR WEIGHT: 246.193587
SMILES: CCP1(N(C(=O)N1C2=CC=CC=C2)C)(F)F
Structure:
CAS RN: 31053-06-2
CAS Name: 2,2-difluoro-1,2-dimethyl-3-phenyl-1,3,2$l^{5}-diazaphosphetidin-4-one
OPENEYE Name: 2,2-difluoro-1,2-dimethyl-3-phenyl-1,3,2$l^{5}-diazaphosphetidin-4-one
IUPAC Name: 2,2-difluoro-1,2-dimethyl-3-phenyl-1,3,2$l^{5}-diazaphosphetidin-4-one
SYSTEMATIC NAME: 2,2-bis(fluoranyl)-1,2-dimethyl-3-phenyl-1,3,2$l^{5}-diazaphosphetidin-4-one
MOLECULAR FORMULA: C9H11F2N2OP
MOLECULAR WEIGHT: 232.167007
SMILES: CN1C(=O)N(P1(C)(F)F)C2=CC=CC=C2
Structure:
CAS RN: 31039-88-0
CAS Name: 3-(dimethylamino)-5,5-dimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-(dimethylamino)-5,5-dimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-(dimethylamino)-5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-(dimethylamino)-5,5-dimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C10H17NO
MOLECULAR WEIGHT: 167.24808
SMILES: CC1(CC(=CC(=O)C1)N(C)C)C
Structure:
CAS RN: 31039-82-4
CAS Name: 1,3,5-tritert-butyl-2-iodobenzene
OPENEYE Name: 1,3,5-tritert-butyl-2-iodo-benzene
IUPAC Name: 1,3,5-tritert-butyl-2-iodobenzene
SYSTEMATIC NAME: 1,3,5-tritert-butyl-2-iodanyl-benzene
MOLECULAR FORMULA: C18H29I
MOLECULAR WEIGHT: 372.32733
SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)I)C(C)(C)C
Structure:
CAS RN: 31039-66-4
CAS Name: 5,6,8-trihydroxy-7-methylnaphthalene-1,4-dione
OPENEYE Name: 5,6,8-trihydroxy-7-methyl-naphthalene-1,4-dione
IUPAC Name: 5,6,8-trihydroxy-7-methylnaphthalene-1,4-dione
SYSTEMATIC NAME: 6-methyl-5,7,8-tris(oxidanyl)naphthalene-1,4-dione
MOLECULAR FORMULA: C11H8O5
MOLECULAR WEIGHT: 220.17822
SMILES: CC1=C(C2=C(C(=O)C=CC2=O)C(=C1O)O)O
Structure:
CAS RN: 31023-92-4
CAS Name: 1-azabicyclo[3.3.3]undecane
OPENEYE Name: 1-azabicyclo[3.3.3]undecane
IUPAC Name: 1-azabicyclo[3.3.3]undecane
SYSTEMATIC NAME: 1-azabicyclo[3.3.3]undecane
MOLECULAR FORMULA: C10H19N
MOLECULAR WEIGHT: 153.26456
SMILES: C1CC2CCCN(C1)CCC2
Structure:
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