Thursday, June 28, 2012

http://ChemLookup.com Compounds




CAS RN: 41940-24-3
CAS Name: 5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylate
IUPAC Name: dimethyl 5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylate
SYSTEMATIC NAME: dimethyl 5-oxidanylidene-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylate
MOLECULAR FORMULA: C14H11N3O5
MOLECULAR WEIGHT: 301.25424
SMILES: COC(=O)C1=C(NN2C1=C3C=CC=CC3=NC2=O)C(=O)OC
Structure:

CAS RN: 58249-37-9
CAS Name: 3-methyl-2,6-diphenyl-3H-[1,2,4]triazolo[1,2-a]triazole-5,7-dione
OPENEYE Name: 3-methyl-2,6-diphenyl-3H-[1,2,4]triazolo[1,2-a]triazole-5,7-dione
IUPAC Name: 3-methyl-2,6-diphenyl-3H-[1,2,4]triazolo[1,2-a]triazole-5,7-dione
SYSTEMATIC NAME: 3-methyl-2,6-diphenyl-3H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7-dione
MOLECULAR FORMULA: C17H14N4O2
MOLECULAR WEIGHT: 306.31866
SMILES: CC1C(=NN2N1C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
Structure:

CAS RN: 64102-00-7
CAS Name: 5-(heptadecylthio)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 5-heptadecylsulfanyl-2,3-dimethoxy-1,4-benzoquinone
IUPAC Name: 5-heptadecylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 5-heptadecylsulfanyl-2,3-dimethoxy-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C25H42O4S
MOLECULAR WEIGHT: 438.66358
SMILES: CCCCCCCCCCCCCCCCCSC1=CC(=O)C(=C(C1=O)OC)OC
Structure:

CAS RN: 67965-10-0
CAS Name: 2-ethoxy-2-methyl-5-[(triphenylmethyl)oxymethyl]-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
OPENEYE Name: 2-ethoxy-2-methyl-5-(trityloxymethyl)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
IUPAC Name: 2-ethoxy-2-methyl-5-(trityloxymethyl)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
SYSTEMATIC NAME: 2-ethoxy-2-methyl-5-[(triphenylmethyl)oxymethyl]-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
MOLECULAR FORMULA: C29H32O7
MOLECULAR WEIGHT: 492.56018
SMILES: CCOC1(OC2C(C(C(OC2O1)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O)O)C
Structure:

CAS RN: 100137-37-9
CAS Name: 3-nitro-4-[(2-nitro-4-sulfamoylphenyl)disulfanyl]benzenesulfonamide
OPENEYE Name: 3-nitro-4-[(2-nitro-4-sulfamoyl-phenyl)disulfanyl]benzenesulfonamide
IUPAC Name: 3-nitro-4-[(2-nitro-4-sulfamoylphenyl)disulfanyl]benzenesulfonamide
SYSTEMATIC NAME: 3-nitro-4-[(2-nitro-4-sulfamoyl-phenyl)disulfanyl]benzenesulfonamide
MOLECULAR FORMULA: C12H10N4O8S4
MOLECULAR WEIGHT: 466.4898
SMILES: C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])SSC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]
Structure:

CAS RN: 70321-33-4
CAS Name: 2,3-dibromo-3-(2-nitrophenyl)propanoic acid
OPENEYE Name: 2,3-dibromo-3-(2-nitrophenyl)propanoic acid
IUPAC Name: 2,3-dibromo-3-(2-nitrophenyl)propanoic acid
SYSTEMATIC NAME: 2,3-bis(bromanyl)-3-(2-nitrophenyl)propanoic acid
MOLECULAR FORMULA: C9H7Br2NO4
MOLECULAR WEIGHT: 352.96418
SMILES: C1=CC=C(C(=C1)C(C(C(=O)O)Br)Br)[N+](=O)[O-]
Structure:

CAS RN: 16619-12-8
CAS Name: 2-phenyl-2,3-dihydroinden-1-one
OPENEYE Name: 2-phenylindan-1-one
IUPAC Name: 2-phenyl-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 2-phenyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C15H12O
MOLECULAR WEIGHT: 208.25518
SMILES: C1C(C(=O)C2=CC=CC=C21)C3=CC=CC=C3
Structure:

CAS RN: 61766-85-6
CAS Name: 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1$l^{6},2-benzothiazepin-3-amine
OPENEYE Name: 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1$l^{6},2-benzothiazepin-3-amine
IUPAC Name: 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1$l^{6},2-benzothiazepin-3-amine
SYSTEMATIC NAME: 5-ethoxy-N,N-diethyl-4-methyl-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazepin-3-amine
MOLECULAR FORMULA: C16H22N2O3S
MOLECULAR WEIGHT: 322.42248
SMILES: CCN(CC)C1=NS(=O)(=O)C2=CC=CC=C2C(=C1C)OCC
Structure:

CAS RN: 61798-57-0
CAS Name: N,N-diethyl-4-methyl-1,1-dioxo-5-phenyl-1$l^{6},2-benzothiazepin-3-amine
OPENEYE Name: N,N-diethyl-4-methyl-1,1-dioxo-5-phenyl-1$l^{6},2-benzothiazepin-3-amine
IUPAC Name: N,N-diethyl-4-methyl-1,1-dioxo-5-phenyl-1$l^{6},2-benzothiazepin-3-amine
SYSTEMATIC NAME: N,N-diethyl-4-methyl-1,1-bis(oxidanylidene)-5-phenyl-1$l^{6},2-benzothiazepin-3-amine
MOLECULAR FORMULA: C20H22N2O2S
MOLECULAR WEIGHT: 354.46588
SMILES: CCN(CC)C1=NS(=O)(=O)C2=CC=CC=C2C(=C1C)C3=CC=CC=C3
Structure:

CAS RN: 52183-74-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H10O6
MOLECULAR WEIGHT: 214.1721
SMILES: COC(=O)[C@H]1[C@@H]([C@H]2[C@H](O2)[C@@H]3[C@H]1O3)C(=O)O
Structure:

CAS RN: 52183-72-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H8O6
MOLECULAR WEIGHT: 200.14552
SMILES: C1(C(C2C(O2)C3C1O3)C(=O)O)C(=O)O
Structure:

CAS RN: 52183-78-5
CAS Name: 7-oxabicyclo[4.1.0]hept-2-ene-4,5-dicarboxylic acid
OPENEYE Name: 7-oxabicyclo[4.1.0]hept-2-ene-4,5-dicarboxylic acid
IUPAC Name: 7-oxabicyclo[4.1.0]hept-2-ene-4,5-dicarboxylic acid
SYSTEMATIC NAME: 7-oxabicyclo[4.1.0]hept-2-ene-4,5-dicarboxylic acid
MOLECULAR FORMULA: C8H8O5
MOLECULAR WEIGHT: 184.14612
SMILES: C1=CC2C(O2)C(C1C(=O)O)C(=O)O
Structure:

CAS RN: 81481-62-1
CAS Name: 4-tetradecyl-1,4-thiazinane 1,1-dioxide
OPENEYE Name: 4-tetradecyl-1,4-thiazinane 1,1-dioxide
IUPAC Name: 4-tetradecyl-1,4-thiazinane 1,1-dioxide
SYSTEMATIC NAME: 4-tetradecyl-1,4-thiazinane 1,1-dioxide
MOLECULAR FORMULA: C18H37NO2S
MOLECULAR WEIGHT: 331.55688
SMILES: CCCCCCCCCCCCCCN1CCS(=O)(=O)CC1
Structure:

CAS RN: 81481-63-2
CAS Name: 4-octyl-1,4-thiazinane 1,1-dioxide
OPENEYE Name: 4-octyl-1,4-thiazinane 1,1-dioxide
IUPAC Name: 4-octyl-1,4-thiazinane 1,1-dioxide
SYSTEMATIC NAME: 4-octyl-1,4-thiazinane 1,1-dioxide
MOLECULAR FORMULA: C12H25NO2S
MOLECULAR WEIGHT: 247.3974
SMILES: CCCCCCCCN1CCS(=O)(=O)CC1
Structure:

CAS RN: 79206-94-3
CAS Name: 4-(2-furanylmethyl)-1,4-thiazinane 1,1-dioxide
OPENEYE Name: 4-(2-furylmethyl)-1,4-thiazinane 1,1-dioxide
IUPAC Name: 4-(furan-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
SYSTEMATIC NAME: 4-(furan-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
MOLECULAR FORMULA: C9H13NO3S
MOLECULAR WEIGHT: 215.26942
SMILES: C1CS(=O)(=O)CCN1CC2=CC=CO2
Structure:

CAS RN: 26475-66-1
CAS Name: 4-(phenylmethyl)-1,4-thiazinane 1,1-dioxide
OPENEYE Name: 4-benzyl-1,4-thiazinane 1,1-dioxide
IUPAC Name: 4-benzyl-1,4-thiazinane 1,1-dioxide
SYSTEMATIC NAME: 4-(phenylmethyl)-1,4-thiazinane 1,1-dioxide
MOLECULAR FORMULA: C11H15NO2S
MOLECULAR WEIGHT: 225.3073
SMILES: C1CS(=O)(=O)CCN1CC2=CC=CC=C2
Structure:

CAS RN: 90482-28-3
CAS Name: 2-(2,2-dimethoxyethyl)thiophene
OPENEYE Name: 2-(2,2-dimethoxyethyl)thiophene
IUPAC Name: 2-(2,2-dimethoxyethyl)thiophene
SYSTEMATIC NAME: 2-(2,2-dimethoxyethyl)thiophene
MOLECULAR FORMULA: C8H12O2S
MOLECULAR WEIGHT: 172.24468
SMILES: COC(CC1=CC=CS1)OC
Structure:

CAS RN: 38202-21-0
CAS Name: 2,4,6-tri(propan-2-yl)benzenesulfonic acid amino ester
OPENEYE Name: amino 2,4,6-triisopropylbenzenesulfonate
IUPAC Name: amino 2,4,6-tri(propan-2-yl)benzenesulfonate
SYSTEMATIC NAME: azanyl 2,4,6-tri(propan-2-yl)benzenesulfonate
MOLECULAR FORMULA: C15H25NO3S
MOLECULAR WEIGHT: 299.4289
SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)ON)C(C)C
Structure:

CAS RN: 31301-36-7
CAS Name: (3-methyl-5-isoxazolyl)-phenylmethanone
OPENEYE Name: (3-methylisoxazol-5-yl)-phenyl-methanone
IUPAC Name: (3-methyl-1,2-oxazol-5-yl)-phenylmethanone
SYSTEMATIC NAME: (3-methyl-1,2-oxazol-5-yl)-phenyl-methanone
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: CC1=NOC(=C1)C(=O)C2=CC=CC=C2
Structure:

CAS RN: 66367-67-7
CAS Name: 4-methyl-5-phenyl-1H-pyrazol-3-amine
OPENEYE Name: 4-methyl-5-phenyl-1H-pyrazol-3-amine
IUPAC Name: 4-methyl-5-phenyl-1H-pyrazol-3-amine
SYSTEMATIC NAME: 4-methyl-5-phenyl-1H-pyrazol-3-amine
MOLECULAR FORMULA: C10H11N3
MOLECULAR WEIGHT: 173.21444
SMILES: CC1=C(NN=C1N)C2=CC=CC=C2
Structure:

CAS RN: 24480-73-7
CAS Name: N-(1-cyclohepta-2,4,6-trienylideneamino)-4-methylbenzenesulfonamide
OPENEYE Name: N-(cyclohepta-2,4,6-trien-1-ylideneamino)-4-methyl-benzenesulfonamide
IUPAC Name: N-(cyclohepta-2,4,6-trien-1-ylideneamino)-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-(cyclohepta-2,4,6-trien-1-ylideneamino)-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C14H14N2O2S
MOLECULAR WEIGHT: 274.33816
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN=C2C=CC=CC=C2
Structure:

CAS RN: 224-48-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H14O
MOLECULAR WEIGHT: 282.33526
SMILES: C1C2=C(C=CC3=CC=CC=C23)OC4=C1C5=CC=CC=C5C=C4
Structure:

CAS RN: 42976-10-3
CAS Name: N-[4-(benzenesulfonamido)-3-[hydroxy(diphenyl)methyl]phenyl]benzenesulfonamide
OPENEYE Name: N-[4-(benzenesulfonamido)-3-[hydroxy(diphenyl)methyl]phenyl]benzenesulfonamide
IUPAC Name: N-[4-(benzenesulfonamido)-3-[hydroxy(diphenyl)methyl]phenyl]benzenesulfonamide
SYSTEMATIC NAME: N-[3-[oxidanyl(diphenyl)methyl]-4-(phenylsulfonylamino)phenyl]benzenesulfonamide
MOLECULAR FORMULA: C31H26N2O5S2
MOLECULAR WEIGHT: 570.67854
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5)O
Structure:

CAS RN: 1823-69-4
CAS Name: 1,1,3,3-tetramethyl-2-(4-methylphenyl)sulfonylguanidine
OPENEYE Name: 1,1,3,3-tetramethyl-2-(p-tolylsulfonyl)guanidine
IUPAC Name: 1,1,3,3-tetramethyl-2-(4-methylphenyl)sulfonylguanidine
SYSTEMATIC NAME: 1,1,3,3-tetramethyl-2-(4-methylphenyl)sulfonyl-guanidine
MOLECULAR FORMULA: C12H19N3O2S
MOLECULAR WEIGHT: 269.36316
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C(N(C)C)N(C)C
Structure:

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