CAS RN: 3772-13-2
CAS Name: 2,2-dimethylthiirane
OPENEYE Name: 2,2-dimethylthiirane
IUPAC Name: 2,2-dimethylthiirane
SYSTEMATIC NAME: 2,2-dimethylthiirane
MOLECULAR FORMULA: C4H8S
MOLECULAR WEIGHT: 88.17132
SMILES: CC1(CS1)C
Structure:
CAS RN: 3769-94-6
CAS Name: 1-(4-nitrophenyl)-1-butanone
OPENEYE Name: 1-(4-nitrophenyl)butan-1-one
IUPAC Name: 1-(4-nitrophenyl)butan-1-one
SYSTEMATIC NAME: 1-(4-nitrophenyl)butan-1-one
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: CCCC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 3769-41-3
CAS Name: 3-phenylmethoxyphenol
OPENEYE Name: 3-benzyloxyphenol
IUPAC Name: 3-phenylmethoxyphenol
SYSTEMATIC NAME: 3-phenylmethoxyphenol
MOLECULAR FORMULA: C13H12O2
MOLECULAR WEIGHT: 200.23318
SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)O
Structure:
CAS RN: 3768-63-6
CAS Name: N-(dimethylsulfamoyl)-N-methylmethanamine
OPENEYE Name: N-(dimethylsulfamoyl)-N-methyl-methanamine
IUPAC Name: N-(dimethylsulfamoyl)-N-methylmethanamine
SYSTEMATIC NAME: N-(dimethylsulfamoyl)-N-methyl-methanamine
MOLECULAR FORMULA: C4H12N2O2S
MOLECULAR WEIGHT: 152.21528
SMILES: CN(C)S(=O)(=O)N(C)C
Structure:
CAS RN: 3761-63-5
CAS Name: bicyclo[7.2.2]trideca-1(11),9,12-triene
OPENEYE Name: bicyclo[7.2.2]trideca-1(11),9,12-triene
IUPAC Name: bicyclo[7.2.2]trideca-1(11),9,12-triene
SYSTEMATIC NAME: bicyclo[7.2.2]trideca-1(11),9,12-triene
MOLECULAR FORMULA: C13H18
MOLECULAR WEIGHT: 174.28202
SMILES: C1CCCC2=CC=C(CCC1)C=C2
Structure:
CAS RN: 3760-59-6
CAS Name: 2,5-dimethyl-3-thiophenone
OPENEYE Name: 2,5-dimethylthiophen-3-one
IUPAC Name: 2,5-dimethylthiophen-3-one
SYSTEMATIC NAME: 2,5-dimethylthiophen-3-one
MOLECULAR FORMULA: C6H8OS
MOLECULAR WEIGHT: 128.19212
SMILES: CC1C(=O)C=C(S1)C
Structure:
CAS RN: 3759-56-6
CAS Name: 1,1-dinitropentane
OPENEYE Name: 1,1-dinitropentane
IUPAC Name: 1,1-dinitropentane
SYSTEMATIC NAME: 1,1-dinitropentane
MOLECULAR FORMULA: C5H10N2O4
MOLECULAR WEIGHT: 162.1439
SMILES: CCCCC([N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 3751-76-6
CAS Name: 7-methyl-1-benzothiophene-2-carboxaldehyde
OPENEYE Name: 7-methylbenzothiophene-2-carbaldehyde
IUPAC Name: 7-methyl-1-benzothiophene-2-carbaldehyde
SYSTEMATIC NAME: 7-methyl-1-benzothiophene-2-carbaldehyde
MOLECULAR FORMULA: C10H8OS
MOLECULAR WEIGHT: 176.23492
SMILES: CC1=CC=CC2=C1SC(=C2)C=O
Structure:
CAS RN: 3751-48-2
CAS Name: 3-(3-methylphenyl)propanoic acid
OPENEYE Name: 3-(m-tolyl)propanoic acid
IUPAC Name: 3-(3-methylphenyl)propanoic acid
SYSTEMATIC NAME: 3-(3-methylphenyl)propanoic acid
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CC1=CC(=CC=C1)CCC(=O)O
Structure:
CAS RN: 3744-29-4
CAS Name: fluoromethane
OPENEYE Name: fluoromethane
IUPAC Name: fluoromethane
SYSTEMATIC NAME: fluoranylmethane
MOLECULAR FORMULA: CH2F
MOLECULAR WEIGHT: 33.024983
SMILES: [CH2]F
Structure:
CAS RN: 3744-21-6
CAS Name: 2,2-dimethylpropane
OPENEYE Name: 2,2-dimethylpropane
IUPAC Name: 2,2-dimethylpropane
SYSTEMATIC NAME: 2,2-dimethylpropane
MOLECULAR FORMULA: C5H11
MOLECULAR WEIGHT: 71.14084
SMILES: CC(C)(C)[CH2]
Structure:
CAS RN: 3744-07-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: F2N
MOLECULAR WEIGHT: 52.003506
SMILES: [N](F)F
Structure:
CAS RN: 3743-07-5
CAS Name: chloro(dimethoxy)phosphine
OPENEYE Name: chloro(dimethoxy)phosphane
IUPAC Name: chloro(dimethoxy)phosphane
SYSTEMATIC NAME: chloranyl(dimethoxy)phosphane
MOLECULAR FORMULA: C2H6ClO2P
MOLECULAR WEIGHT: 128.494601
SMILES: COP(OC)Cl
Structure:
CAS RN: 3742-42-5
CAS Name: 4-ethylcyclohexene
OPENEYE Name: 4-ethylcyclohexene
IUPAC Name: 4-ethylcyclohexene
SYSTEMATIC NAME: 4-ethylcyclohexene
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: CCC1CCC=CC1
Structure:
CAS RN: 3741-34-2
CAS Name: N,N-diethyl-1,3,2-dioxaphospholan-2-amine
OPENEYE Name: N,N-diethyl-1,3,2-dioxaphospholan-2-amine
IUPAC Name: N,N-diethyl-1,3,2-dioxaphospholan-2-amine
SYSTEMATIC NAME: N,N-diethyl-1,3,2-dioxaphospholan-2-amine
MOLECULAR FORMULA: C6H14NO2P
MOLECULAR WEIGHT: 163.154621
SMILES: CCN(CC)P1OCCO1
Structure:
CAS RN: 3741-24-0
CAS Name: 1-(2,5-dioxo-1-pyrrolidinyl)pyrrolidine-2,5-dione
OPENEYE Name: 1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
IUPAC Name: 1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C8H8N2O4
MOLECULAR WEIGHT: 196.16012
SMILES: C1CC(=O)N(C1=O)N2C(=O)CCC2=O
Structure:
CAS RN: 3740-59-8
CAS Name: 6-methyl-3,4-dihydropyran-2-one
OPENEYE Name: 6-methyl-3,4-dihydropyran-2-one
IUPAC Name: 6-methyl-3,4-dihydropyran-2-one
SYSTEMATIC NAME: 6-methyl-3,4-dihydropyran-2-one
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: CC1=CCCC(=O)O1
Structure:
CAS RN: 3739-97-7
CAS Name: triphenyl(trimethylsilylmethylidene)phosphorane
OPENEYE Name: triphenyl(trimethylsilylmethylene)-$l^{5}-phosphane
IUPAC Name: triphenyl(trimethylsilylmethylidene)-$l^{5}-phosphane
SYSTEMATIC NAME: triphenyl(trimethylsilylmethylidene)-$l^{5}-phosphane
MOLECULAR FORMULA: C22H25PSi
MOLECULAR WEIGHT: 348.493161
SMILES: C[Si](C)(C)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 3739-81-9
CAS Name: 1-methyl-2-pyrimidinone
OPENEYE Name: 1-methylpyrimidin-2-one
IUPAC Name: 1-methylpyrimidin-2-one
SYSTEMATIC NAME: 1-methylpyrimidin-2-one
MOLECULAR FORMULA: C5H6N2O
MOLECULAR WEIGHT: 110.11394
SMILES: CN1C=CC=NC1=O
Structure:
CAS RN: 3732-81-8
CAS Name: N-[chloro(dimethylamino)phosphinothioyl]-N-methylmethanamine
OPENEYE Name: N-[chloro(dimethylamino)phosphinothioyl]-N-methyl-methanamine
IUPAC Name: N-[chloro(dimethylamino)phosphinothioyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[chloranyl(dimethylamino)phosphinothioyl]-N-methyl-methanamine
MOLECULAR FORMULA: C4H12ClN2PS
MOLECULAR WEIGHT: 186.643241
SMILES: CN(C)P(=S)(N(C)C)Cl
Structure:
CAS RN: 3732-61-4
CAS Name: 3,4,4-trimethyl-1-penten-3-ol
OPENEYE Name: 3,4,4-trimethylpent-1-en-3-ol
IUPAC Name: 3,4,4-trimethylpent-1-en-3-ol
SYSTEMATIC NAME: 3,4,4-trimethylpent-1-en-3-ol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CC(C)(C)C(C)(C=C)O
Structure:
CAS RN: 3732-31-8
CAS Name: 1-(1-adamantyl)adamantane
OPENEYE Name: 1-(1-adamantyl)adamantane
IUPAC Name: 1-(1-adamantyl)adamantane
SYSTEMATIC NAME: 1-(1-adamantyl)adamantane
MOLECULAR FORMULA: C20H30
MOLECULAR WEIGHT: 270.4522
SMILES: C1C2CC3CC1CC(C2)(C3)C45CC6CC(C4)CC(C6)C5
Structure:
CAS RN: 3730-08-3
CAS Name: 6-tetradecyne
OPENEYE Name: tetradec-6-yne
IUPAC Name: tetradec-6-yne
SYSTEMATIC NAME: tetradec-6-yne
MOLECULAR FORMULA: C14H26
MOLECULAR WEIGHT: 194.35624
SMILES: CCCCCCCC#CCCCCC
Structure:
CAS RN: 3727-31-9
CAS Name: 2-methylcyclopenta-1,3-diene
OPENEYE Name: 2-methylcyclopenta-1,3-diene
IUPAC Name: 2-methylcyclopenta-1,3-diene
SYSTEMATIC NAME: 2-methylcyclopenta-1,3-diene
MOLECULAR FORMULA: C6H8
MOLECULAR WEIGHT: 80.12772
SMILES: CC1=CCC=C1
Structure:
CAS RN: 3725-33-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: C1CC2C3C2C1C=C3
Structure:
CAS RN: 53754-35-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: C1CC2C3C2C1C=C3
Structure:
CAS RN: 3725-28-8
CAS Name: bicyclo[4.2.0]octa-2,4-diene
OPENEYE Name: bicyclo[4.2.0]octa-2,4-diene
IUPAC Name: bicyclo[4.2.0]octa-2,4-diene
SYSTEMATIC NAME: bicyclo[4.2.0]octa-2,4-diene
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: C1CC2C1C=CC=C2
Structure:
CAS RN: 3725-20-0
CAS Name: bicyclo[5.1.0]octa-2,5-diene
OPENEYE Name: bicyclo[5.1.0]octa-2,5-diene
IUPAC Name: bicyclo[5.1.0]octa-2,5-diene
SYSTEMATIC NAME: bicyclo[5.1.0]octa-2,5-diene
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: C1C=CC2CC2C=C1
Structure:
CAS RN: 3725-05-1
CAS Name: 2,5-dimethylhexa-1,5-dien-3-yne
OPENEYE Name: 2,5-dimethylhexa-1,5-dien-3-yne
IUPAC Name: 2,5-dimethylhexa-1,5-dien-3-yne
SYSTEMATIC NAME: 2,5-dimethylhexa-1,5-dien-3-yne
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: CC(=C)C#CC(=C)C
Structure:
CAS RN: 3721-64-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H10
MOLECULAR WEIGHT: 118.1757
SMILES: C=C1C2C3C2C4C1C4C3
Structure:
CAS RN: 3721-18-4
CAS Name: 5-chlorobicyclo[2.2.1]hept-2-ene
OPENEYE Name: 5-chlorobicyclo[2.2.1]hept-2-ene
IUPAC Name: 5-chlorobicyclo[2.2.1]hept-2-ene
SYSTEMATIC NAME: 5-chloranylbicyclo[2.2.1]hept-2-ene
MOLECULAR FORMULA: C7H9Cl
MOLECULAR WEIGHT: 128.59936
SMILES: C1C2CC(C1C=C2)Cl
Structure:
CAS RN: 3721-19-5
CAS Name: 5-chlorobicyclo[2.2.1]hept-2-ene
OPENEYE Name: 5-chlorobicyclo[2.2.1]hept-2-ene
IUPAC Name: 5-chlorobicyclo[2.2.1]hept-2-ene
SYSTEMATIC NAME: 5-chloranylbicyclo[2.2.1]hept-2-ene
MOLECULAR FORMULA: C7H9Cl
MOLECULAR WEIGHT: 128.59936
SMILES: C1C2CC(C1C=C2)Cl
Structure:
CAS RN: 4313-36-4
CAS Name: 5-chlorobicyclo[2.2.1]hept-2-ene
OPENEYE Name: 5-chlorobicyclo[2.2.1]hept-2-ene
IUPAC Name: 5-chlorobicyclo[2.2.1]hept-2-ene
SYSTEMATIC NAME: 5-chloranylbicyclo[2.2.1]hept-2-ene
MOLECULAR FORMULA: C7H9Cl
MOLECULAR WEIGHT: 128.59936
SMILES: C1C2CC(C1C=C2)Cl
Structure:
CAS RN: 3721-13-9
CAS Name: 2,4,6-trichloro-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-trichloro-N2,N2,N4,N4,N6,N6-hexamethyl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene-2,4,6-triamine
IUPAC Name: 2,4,6-trichloro-2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene-2,4,6-triamine
SYSTEMATIC NAME: 2,4,6-tris(chloranyl)-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: C6H18Cl3N6P3
MOLECULAR WEIGHT: 373.527603
SMILES: CN(C)P1(=NP(=NP(=N1)(N(C)C)Cl)(N(C)C)Cl)Cl
Structure:
CAS RN: 3720-20-5
CAS Name: 4,6-dimethyl-2-oxanone
OPENEYE Name: 4,6-dimethyltetrahydropyran-2-one
IUPAC Name: 4,6-dimethyloxan-2-one
SYSTEMATIC NAME: 4,6-dimethyloxan-2-one
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CC1CC(OC(=O)C1)C
Structure:
CAS RN: 3710-42-7
CAS Name: 7-hydroxyheptanoic acid
OPENEYE Name: 7-hydroxyheptanoic acid
IUPAC Name: 7-hydroxyheptanoic acid
SYSTEMATIC NAME: 7-oxidanylheptanoic acid
MOLECULAR FORMULA: C7H14O3
MOLECULAR WEIGHT: 146.18426
SMILES: C(CCCO)CCC(=O)O
Structure:
CAS RN: 3704-48-1
CAS Name: [dimethyl(trimethylsilyl)silyl]-[[[[dimethyl(trimethylsilyl)silyl]-dimethylsilyl]-dimethylsilyl]-dimethylsilyl]-dimethylsilane
OPENEYE Name: [dimethyl(trimethylsilyl)silyl]-[[[[dimethyl(trimethylsilyl)silyl]-dimethyl-silyl]-dimethyl-silyl]-dimethyl-silyl]-dimethyl-silane
IUPAC Name: [dimethyl(trimethylsilyl)silyl]-[[[[dimethyl(trimethylsilyl)silyl]-dimethylsilyl]-dimethylsilyl]-dimethylsilyl]-dimethylsilane
SYSTEMATIC NAME: [dimethyl(trimethylsilyl)silyl]-[[[[dimethyl(trimethylsilyl)silyl]-dimethyl-silyl]-dimethyl-silyl]-dimethyl-silyl]-dimethyl-silane
MOLECULAR FORMULA: C18H54Si8
MOLECULAR WEIGHT: 495.30536
SMILES: C[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)C
Structure:
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