CAS RN: 51023-63-3
CAS Name: N-(2-oxolanylmethyl)-2-propanamine
OPENEYE Name: N-(tetrahydrofuran-2-ylmethyl)propan-2-amine
IUPAC Name: N-(oxolan-2-ylmethyl)propan-2-amine
SYSTEMATIC NAME: N-(oxolan-2-ylmethyl)propan-2-amine
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CC(C)NCC1CCCO1
Structure:
CAS RN: 50907-46-5
CAS Name: (1-methyl-1-cyclohex-3-enyl)methanol
OPENEYE Name: (1-methylcyclohex-3-en-1-yl)methanol
IUPAC Name: (1-methylcyclohex-3-en-1-yl)methanol
SYSTEMATIC NAME: (1-methylcyclohex-3-en-1-yl)methanol
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CC1(CCC=CC1)CO
Structure:
CAS RN: 2528-00-9
CAS Name: 5-(chloromethyl)-2-furancarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-(chloromethyl)furan-2-carboxylate
IUPAC Name: ethyl 5-(chloromethyl)furan-2-carboxylate
SYSTEMATIC NAME: ethyl 5-(chloromethyl)furan-2-carboxylate
MOLECULAR FORMULA: C8H9ClO3
MOLECULAR WEIGHT: 188.60826
SMILES: CCOC(=O)C1=CC=C(O1)CCl
Structure:
CAS RN: 6540-86-9
CAS Name: 2-(2-oxolanyl)-1,3-dioxolane
OPENEYE Name: 2-tetrahydrofuran-2-yl-1,3-dioxolane
IUPAC Name: 2-(oxolan-2-yl)-1,3-dioxolane
SYSTEMATIC NAME: 2-(oxolan-2-yl)-1,3-dioxolane
MOLECULAR FORMULA: C7H12O3
MOLECULAR WEIGHT: 144.16838
SMILES: C1CC(OC1)C2OCCO2
Structure:
CAS RN: 935-12-6
CAS Name: 3-(2-oxolanyl)propanoic acid
OPENEYE Name: 3-tetrahydrofuran-2-ylpropanoic acid
IUPAC Name: 3-(oxolan-2-yl)propanoic acid
SYSTEMATIC NAME: 3-(oxolan-2-yl)propanoic acid
MOLECULAR FORMULA: C7H12O3
MOLECULAR WEIGHT: 144.16838
SMILES: C1CC(OC1)CCC(=O)O
Structure:
CAS RN: 39479-30-6
CAS Name: 1-chloro-4-[1-(4-chlorophenyl)-3,3-diphenylpropa-1,2-dienyl]benzene
OPENEYE Name: 1-chloro-4-[1-(4-chlorophenyl)-3,3-diphenyl-propa-1,2-dienyl]benzene
IUPAC Name: 1-chloro-4-[1-(4-chlorophenyl)-3,3-diphenylpropa-1,2-dienyl]benzene
SYSTEMATIC NAME: 1-chloranyl-4-[1-(4-chlorophenyl)-3,3-diphenyl-propa-1,2-dienyl]benzene
MOLECULAR FORMULA: C27H18Cl2
MOLECULAR WEIGHT: 413.33782
SMILES: C1=CC=C(C=C1)C(=C=C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
Structure:
CAS RN: 874-33-9
CAS Name: N-methyl-1-(2-methylphenyl)methanamine
OPENEYE Name: N-methyl-1-(o-tolyl)methanamine
IUPAC Name: N-methyl-1-(2-methylphenyl)methanamine
SYSTEMATIC NAME: N-methyl-1-(2-methylphenyl)methanamine
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: CC1=CC=CC=C1CNC
Structure:
CAS RN: 17746-08-6
CAS Name: pentadecanoyl chloride
OPENEYE Name: pentadecanoyl chloride
IUPAC Name: pentadecanoyl chloride
SYSTEMATIC NAME: pentadecanoyl chloride
MOLECULAR FORMULA: C15H29ClO
MOLECULAR WEIGHT: 260.84316
SMILES: CCCCCCCCCCCCCCC(=O)Cl
Structure:
CAS RN: 41665-67-2
CAS Name: 2-[(5-ethoxycarbonyl-4-methyl-2-thiazolyl)disulfanyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[(5-ethoxycarbonyl-4-methyl-thiazol-2-yl)disulfanyl]-4-methyl-thiazole-5-carboxylate
IUPAC Name: ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)disulfanyl]-4-methyl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)disulfanyl]-4-methyl-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C14H16N2O4S4
MOLECULAR WEIGHT: 404.54784
SMILES: CCOC(=O)C1=C(N=C(S1)SSC2=NC(=C(S2)C(=O)OCC)C)C
Structure:
CAS RN: 57818-96-9
CAS Name: 1-(5-tert-butyl-2-hydroxyphenyl)ethanone
OPENEYE Name: 1-(5-tert-butyl-2-hydroxy-phenyl)ethanone
IUPAC Name: 1-(5-tert-butyl-2-hydroxyphenyl)ethanone
SYSTEMATIC NAME: 1-(5-tert-butyl-2-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: CC(=O)C1=C(C=CC(=C1)C(C)(C)C)O
Structure:
CAS RN: 16051-87-9
CAS Name: 3-cyanopropanoic acid
OPENEYE Name: 3-cyanopropanoic acid
IUPAC Name: 3-cyanopropanoic acid
SYSTEMATIC NAME: 3-cyanopropanoic acid
MOLECULAR FORMULA: C4H5NO2
MOLECULAR WEIGHT: 99.088
SMILES: C(CC(=O)O)C#N
Structure:
CAS RN: 41128-90-9
CAS Name: 2-phenyl-5-phenylmethoxy-1,3-dioxane
OPENEYE Name: 5-benzyloxy-2-phenyl-1,3-dioxane
IUPAC Name: 2-phenyl-5-phenylmethoxy-1,3-dioxane
SYSTEMATIC NAME: 2-phenyl-5-phenylmethoxy-1,3-dioxane
MOLECULAR FORMULA: C17H18O3
MOLECULAR WEIGHT: 270.32302
SMILES: C1C(COC(O1)C2=CC=CC=C2)OCC3=CC=CC=C3
Structure:
CAS RN: 2555-25-1
CAS Name: 3-(4-nitrophenyl)-1-benzopyran-2-one
OPENEYE Name: 3-(4-nitrophenyl)chromen-2-one
IUPAC Name: 3-(4-nitrophenyl)chromen-2-one
SYSTEMATIC NAME: 3-(4-nitrophenyl)chromen-2-one
MOLECULAR FORMULA: C15H9NO4
MOLECULAR WEIGHT: 267.23626
SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 5008-69-5
CAS Name: 2-methyl-1-(methylthio)propane
OPENEYE Name: 2-methyl-1-methylsulfanyl-propane
IUPAC Name: 2-methyl-1-methylsulfanylpropane
SYSTEMATIC NAME: 2-methyl-1-methylsulfanyl-propane
MOLECULAR FORMULA: C5H12S
MOLECULAR WEIGHT: 104.21378
SMILES: CC(C)CSC
Structure:
CAS RN: 2947-64-0
CAS Name: 5-[(3-carboxy-4-hydroxy-5-methylphenyl)-(3-carboxy-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-hydroxy-3-methylbenzoic acid
OPENEYE Name: 5-[(3-carboxy-4-hydroxy-5-methyl-phenyl)-(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-3-methyl-benzoic acid
IUPAC Name: 5-[(3-carboxy-4-hydroxy-5-methylphenyl)-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-3-methylbenzoic acid
SYSTEMATIC NAME: 5-[(3-carboxy-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-carboxy-5-methyl-4-oxidanyl-phenyl)methyl]-3-methyl-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C25H20O9
MOLECULAR WEIGHT: 464.4209
SMILES: CC1=CC(=CC(=C1O)C(=O)O)C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=CC(=C(C(=C3)C)O)C(=O)O
Structure:
CAS RN: 7597-69-5
CAS Name: [2-methylpropoxy(phenyl)methyl]benzene
OPENEYE Name: [isobutoxy(phenyl)methyl]benzene
IUPAC Name: [2-methylpropoxy(phenyl)methyl]benzene
SYSTEMATIC NAME: [2-methylpropoxy(phenyl)methyl]benzene
MOLECULAR FORMULA: C17H20O
MOLECULAR WEIGHT: 240.3401
SMILES: CC(C)COC(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 510-51-0
CAS Name: 3',6'-dihydroxy-2-spiro[oxolane-5,9'-xanthene]one
OPENEYE Name: 3',6'-dihydroxyspiro[tetrahydrofuran-5,9'-xanthene]-2-one
IUPAC Name: 3',6'-dihydroxyspiro[oxolane-5,9'-xanthene]-2-one
SYSTEMATIC NAME: 3',6'-bis(oxidanyl)spiro[oxolane-5,9'-xanthene]-2-one
MOLECULAR FORMULA: C16H12O5
MOLECULAR WEIGHT: 284.26348
SMILES: C1CC2(C3=C(C=C(C=C3)O)OC4=C2C=CC(=C4)O)OC1=O
Structure:
CAS RN: 84843-17-4
CAS Name: 1,3-dimethylbenzo[f]quinoline
OPENEYE Name: 1,3-dimethylbenzo[f]quinoline
IUPAC Name: 1,3-dimethylbenzo[f]quinoline
SYSTEMATIC NAME: 1,3-dimethylbenzo[f]quinoline
MOLECULAR FORMULA: C15H13N
MOLECULAR WEIGHT: 207.27042
SMILES: CC1=CC(=NC2=C1C3=CC=CC=C3C=C2)C
Structure:
CAS RN: 42598-91-4
CAS Name: 1-ethoxy-2-[2-[2-(2-ethoxyethoxy)ethoxymethoxy]ethoxy]ethane
OPENEYE Name: 1-ethoxy-2-[2-[2-(2-ethoxyethoxy)ethoxymethoxy]ethoxy]ethane
IUPAC Name: 1-ethoxy-2-[2-[2-(2-ethoxyethoxy)ethoxymethoxy]ethoxy]ethane
SYSTEMATIC NAME: 1-ethoxy-2-[2-[2-(2-ethoxyethoxy)ethoxymethoxy]ethoxy]ethane
MOLECULAR FORMULA: C13H28O6
MOLECULAR WEIGHT: 280.35782
SMILES: CCOCCOCCOCOCCOCCOCC
Structure:
CAS RN: 2016-56-0
CAS Name: acetic acid; 1-dodecanamine
OPENEYE Name: acetic acid; dodecan-1-amine
IUPAC Name: acetic acid; dodecan-1-amine
SYSTEMATIC NAME: dodecan-1-amine; ethanoic acid
MOLECULAR FORMULA: C14H31NO2
MOLECULAR WEIGHT: 245.40144
SMILES: CCCCCCCCCCCCN.CC(=O)O
Structure:
CAS RN: 7695-25-2
CAS Name: 4H-benzo[f]quinoxalin-3-one
OPENEYE Name: 4H-benzo[f]quinoxalin-3-one
IUPAC Name: 4H-benzo[f]quinoxalin-3-one
SYSTEMATIC NAME: 4H-benzo[f]quinoxalin-3-one
MOLECULAR FORMULA: C12H8N2O
MOLECULAR WEIGHT: 196.20472
SMILES: C1=CC=C2C(=C1)C=CC3=C2N=CC(=O)N3
Structure:
CAS RN: 34495-22-2
CAS Name: 2-(2-carboxybutoxymethyl)butanoic acid
OPENEYE Name: 2-(2-carboxybutoxymethyl)butanoic acid
IUPAC Name: 2-(2-carboxybutoxymethyl)butanoic acid
SYSTEMATIC NAME: 2-(2-carboxybutoxymethyl)butanoic acid
MOLECULAR FORMULA: C10H18O5
MOLECULAR WEIGHT: 218.24692
SMILES: CCC(COCC(CC)C(=O)O)C(=O)O
Structure:
CAS RN: 4437-22-3
CAS Name: 2-(2-furanylmethoxymethyl)furan
OPENEYE Name: 2-(2-furylmethoxymethyl)furan
IUPAC Name: 2-(furan-2-ylmethoxymethyl)furan
SYSTEMATIC NAME: 2-(furan-2-ylmethoxymethyl)furan
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: C1=COC(=C1)COCC2=CC=CO2
Structure:
CAS RN: 13468-88-7
CAS Name: 4-methylcyclohex-4-ene-1,2-dicarboxylic acid
OPENEYE Name: 4-methylcyclohex-4-ene-1,2-dicarboxylic acid
IUPAC Name: 4-methylcyclohex-4-ene-1,2-dicarboxylic acid
SYSTEMATIC NAME: 4-methylcyclohex-4-ene-1,2-dicarboxylic acid
MOLECULAR FORMULA: C9H12O4
MOLECULAR WEIGHT: 184.18918
SMILES: CC1=CCC(C(C1)C(=O)O)C(=O)O
Structure:
CAS RN: 5976-39-6
CAS Name: 1-[2-(2-bromoethoxy)ethoxy]butane
OPENEYE Name: 1-[2-(2-bromoethoxy)ethoxy]butane
IUPAC Name: 1-[2-(2-bromoethoxy)ethoxy]butane
SYSTEMATIC NAME: 1-[2-(2-bromoethyloxy)ethoxy]butane
MOLECULAR FORMULA: C8H17BrO2
MOLECULAR WEIGHT: 225.12338
SMILES: CCCCOCCOCCBr
Structure:
CAS RN: 62708-57-0
CAS Name: 3-butoxypropane-1,2-diol
OPENEYE Name: 3-butoxypropane-1,2-diol
IUPAC Name: 3-butoxypropane-1,2-diol
SYSTEMATIC NAME: 3-butoxypropane-1,2-diol
MOLECULAR FORMULA: C7H16O3
MOLECULAR WEIGHT: 148.20014
SMILES: CCCCOCC(CO)O
Structure:
CAS RN: 617-99-2
CAS Name: benzene-1,3,5-trisulfonic acid
OPENEYE Name: benzene-1,3,5-trisulfonic acid
IUPAC Name: benzene-1,3,5-trisulfonic acid
SYSTEMATIC NAME: benzene-1,3,5-trisulfonic acid
MOLECULAR FORMULA: C6H6O9S3
MOLECULAR WEIGHT: 318.30144
SMILES: C1=C(C=C(C=C1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 43052-65-9
CAS Name: benzene-1,3,5-trisulfonic acid
OPENEYE Name: benzene-1,3,5-trisulfonic acid
IUPAC Name: benzene-1,3,5-trisulfonic acid
SYSTEMATIC NAME: benzene-1,3,5-trisulfonic acid
MOLECULAR FORMULA: C6H6O9S3
MOLECULAR WEIGHT: 318.30144
SMILES: C1=C(C=C(C=C1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 13316-12-6
CAS Name: 7-chlorothiazolo[5,4-d]pyrimidine
OPENEYE Name: 7-chlorothiazolo[5,4-d]pyrimidine
IUPAC Name: 7-chloro-[1,3]thiazolo[5,4-d]pyrimidine
SYSTEMATIC NAME: 7-chloranyl-[1,3]thiazolo[5,4-d]pyrimidine
MOLECULAR FORMULA: C5H2ClN3S
MOLECULAR WEIGHT: 171.60748
SMILES: C1=NC2=C(C(=N1)Cl)N=CS2
Structure:
CAS RN: 5142-52-9
CAS Name: 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethyl]benzene
OPENEYE Name: 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethyl]benzene
IUPAC Name: 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethyl]benzene
SYSTEMATIC NAME: 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethyl]benzene
MOLECULAR FORMULA: C30H30O4
MOLECULAR WEIGHT: 454.5568
SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
Structure:
CAS RN: 10432-35-6
CAS Name: spiro[2.4]heptane-1,1,2,2-tetracarbonitrile
OPENEYE Name: spiro[2.4]heptane-1,1,2,2-tetracarbonitrile
IUPAC Name: spiro[2.4]heptane-1,1,2,2-tetracarbonitrile
SYSTEMATIC NAME: spiro[2.4]heptane-1,1,2,2-tetracarbonitrile
MOLECULAR FORMULA: C11H8N4
MOLECULAR WEIGHT: 196.20802
SMILES: C1CCC2(C1)C(C2(C#N)C#N)(C#N)C#N
Structure:
CAS RN: 90946-20-6
CAS Name: 3,6,6-trimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
OPENEYE Name: 3,6,6-trimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
IUPAC Name: 3,6,6-trimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
SYSTEMATIC NAME: 3,6,6-trimethyl-2,4-bis(oxidanylidene)-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
MOLECULAR FORMULA: C10H9N3O2
MOLECULAR WEIGHT: 203.19736
SMILES: CC1(C2(C1(C(=O)N(C2=O)C)C#N)C#N)C
Structure:
CAS RN: 61358-29-0
CAS Name: 1,3,5-tribromo-2,4,6-trimethylbenzene
OPENEYE Name: 1,3,5-tribromo-2,4,6-trimethyl-benzene
IUPAC Name: 1,3,5-tribromo-2,4,6-trimethylbenzene
SYSTEMATIC NAME: 1,3,5-tris(bromanyl)-2,4,6-trimethyl-benzene
MOLECULAR FORMULA: C9H9Br3
MOLECULAR WEIGHT: 356.87976
SMILES: CC1=C(C(=C(C(=C1Br)C)Br)C)Br
Structure:
CAS RN: 24922-02-9
CAS Name: 3-cyclopropyl-3-oxopropanoic acid ethyl ester
OPENEYE Name: ethyl 3-cyclopropyl-3-oxo-propanoate
IUPAC Name: ethyl 3-cyclopropyl-3-oxopropanoate
SYSTEMATIC NAME: ethyl 3-cyclopropyl-3-oxidanylidene-propanoate
MOLECULAR FORMULA: C8H12O3
MOLECULAR WEIGHT: 156.17908
SMILES: CCOC(=O)CC(=O)C1CC1
Structure:
CAS RN: 80508-99-2
CAS Name: 1,5-dichloro-2-pentanone
OPENEYE Name: 1,5-dichloropentan-2-one
IUPAC Name: 1,5-dichloropentan-2-one
SYSTEMATIC NAME: 1,5-bis(chloranyl)pentan-2-one
MOLECULAR FORMULA: C5H8Cl2O
MOLECULAR WEIGHT: 155.02242
SMILES: C(CC(=O)CCl)CCl
Structure:
CAS RN: 13551-83-2
CAS Name: methanesulfonic acid [2-(6-aminopurin-9-yl)-4-(phenylmethylthio)-5-[(triphenylmethyl)oxymethyl]-3-oxolanyl] ester
OPENEYE Name: [2-(6-aminopurin-9-yl)-4-benzylsulfanyl-5-(trityloxymethyl)tetrahydrofuran-3-yl] methanesulfonate
IUPAC Name: [2-(6-aminopurin-9-yl)-4-benzylsulfanyl-5-(trityloxymethyl)oxolan-3-yl] methanesulfonate
SYSTEMATIC NAME: [2-(6-aminopurin-9-yl)-4-(phenylmethylsulfanyl)-5-[(triphenylmethyl)oxymethyl]oxolan-3-yl] methanesulfonate
MOLECULAR FORMULA: C37H35N5O5S2
MOLECULAR WEIGHT: 693.8343
SMILES: CS(=O)(=O)OC1C(C(OC1N2C=NC3=C2N=CN=C3N)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)SCC7=CC=CC=C7
Structure:
CAS RN: 13116-40-0
CAS Name: 4-amino-2-(6-aminopurin-9-yl)-5-methyl-3-oxolanol
OPENEYE Name: 4-amino-2-(6-aminopurin-9-yl)-5-methyl-tetrahydrofuran-3-ol
IUPAC Name: 4-amino-2-(6-aminopurin-9-yl)-5-methyloxolan-3-ol
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)-4-azanyl-5-methyl-oxolan-3-ol
MOLECULAR FORMULA: C10H14N6O2
MOLECULAR WEIGHT: 250.25716
SMILES: CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)N
Structure:
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