CAS RN: 6947-87-1
CAS Name: 6-methyl-4-(4-methylphenyl)-2-phenyl-1-benzothiopyrylium; tetrachloroiron
OPENEYE Name: 6-methyl-2-phenyl-4-(p-tolyl)thiochromenylium; tetrachloroiron
IUPAC Name: 6-methyl-4-(4-methylphenyl)-2-phenylthiochromenylium; tetrachloroiron
SYSTEMATIC NAME: 6-methyl-4-(4-methylphenyl)-2-phenyl-thiochromenylium; tetrakis(chloranyl)iron
MOLECULAR FORMULA: C23H19Cl4FeS+
MOLECULAR WEIGHT: 525.11896
SMILES: CC1=CC=C(C=C1)C2=CC(=[S+]C3=C2C=C(C=C3)C)C4=CC=CC=C4.Cl[Fe](Cl)(Cl)Cl
Structure:
CAS RN: 6631-16-9
CAS Name: 9-phenylxanthen-10-ium
OPENEYE Name: 9-phenylxanthen-10-ium
IUPAC Name: 9-phenylxanthen-10-ium
SYSTEMATIC NAME: 9-phenylxanthen-10-ium
MOLECULAR FORMULA: C19H13O+
MOLECULAR WEIGHT: 257.30592
SMILES: C1=CC=C(C=C1)C2=C3C=CC=CC3=[O+]C4=CC=CC=C42
Structure:
CAS RN: 7249-11-8
CAS Name: 3-methyl-2-phenyl-1-benzopyrylium; tetrabromoiron
OPENEYE Name: 3-methyl-2-phenyl-chromenylium; tetrabromoiron
IUPAC Name: 3-methyl-2-phenylchromenylium; tetrabromoiron
SYSTEMATIC NAME: 3-methyl-2-phenyl-chromenylium; tetrakis(bromanyl)iron
MOLECULAR FORMULA: C16H13Br4FeO+
MOLECULAR WEIGHT: 596.73482
SMILES: CC1=CC2=CC=CC=C2[O+]=C1C3=CC=CC=C3.[Fe](Br)(Br)(Br)Br
Structure:
CAS RN: 6630-95-1
CAS Name: 9,10,10-triphenyl-9H-phenanthrene
OPENEYE Name: 9,10,10-triphenyl-9H-phenanthrene
IUPAC Name: 9,10,10-triphenyl-9H-phenanthrene
SYSTEMATIC NAME: 9,10,10-triphenyl-9H-phenanthrene
MOLECULAR FORMULA: C32H24
MOLECULAR WEIGHT: 408.53296
SMILES: C1=CC=C(C=C1)C2C3=CC=CC=C3C4=CC=CC=C4C2(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 6630-85-9
CAS Name: 2-(2-benzoylphenyl)benzoic acid
OPENEYE Name: 2-(2-benzoylphenyl)benzoic acid
IUPAC Name: 2-(2-benzoylphenyl)benzoic acid
SYSTEMATIC NAME: 2-[2-(phenylcarbonyl)phenyl]benzoic acid
MOLECULAR FORMULA: C20H14O3
MOLECULAR WEIGHT: 302.32336
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O
Structure:
CAS RN: 961-58-0
CAS Name: 1,6-dimethyl-3-(4-methylphenyl)-4H-quinazolin-1-ium
OPENEYE Name: 1,6-dimethyl-3-(p-tolyl)-4H-quinazolin-1-ium
IUPAC Name: 1,6-dimethyl-3-(4-methylphenyl)-4H-quinazolin-1-ium
SYSTEMATIC NAME: 1,6-dimethyl-3-(4-methylphenyl)-4H-quinazolin-1-ium
MOLECULAR FORMULA: C17H19N2+
MOLECULAR WEIGHT: 251.34616
SMILES: CC1=CC=C(C=C1)N2CC3=C(C=CC(=C3)C)[N+](=C2)C
Structure:
CAS RN: 6948-50-1
CAS Name: 4-chloro-N-[[(4-chloro-2-pyrimidinyl)amino]-phenylphosphoryl]-2-pyrimidinamine
OPENEYE Name: 4-chloro-N-[[(4-chloropyrimidin-2-yl)amino]-phenyl-phosphoryl]pyrimidin-2-amine
IUPAC Name: 4-chloro-N-[[(4-chloropyrimidin-2-yl)amino]-phenylphosphoryl]pyrimidin-2-amine
SYSTEMATIC NAME: 4-chloranyl-N-[[(4-chloranylpyrimidin-2-yl)amino]-phenyl-phosphoryl]pyrimidin-2-amine
MOLECULAR FORMULA: C14H11Cl2N6OP
MOLECULAR WEIGHT: 381.156501
SMILES: C1=CC=C(C=C1)P(=O)(NC2=NC=CC(=N2)Cl)NC3=NC=CC(=N3)Cl
Structure:
CAS RN: 6623-55-8
CAS Name: 1-(3,4-dihydroxyphenyl)-2-(1-pyridin-1-iumyl)ethanone
OPENEYE Name: 1-(3,4-dihydroxyphenyl)-2-pyridin-1-ium-1-yl-ethanone
IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-pyridin-1-ium-1-ylethanone
SYSTEMATIC NAME: 1-[3,4-bis(oxidanyl)phenyl]-2-pyridin-1-ium-1-yl-ethanone
MOLECULAR FORMULA: C13H12NO3+
MOLECULAR WEIGHT: 230.23928
SMILES: C1=CC=[N+](C=C1)CC(=O)C2=CC(=C(C=C2)O)O
Structure:
CAS RN: 6623-94-5
CAS Name: 2-[5-[(6-methoxy-8-quinolinyl)amino]pentyl]isoindole-1,3-dione
OPENEYE Name: 2-[5-[(6-methoxy-8-quinolyl)amino]pentyl]isoindoline-1,3-dione
IUPAC Name: 2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]isoindole-1,3-dione
MOLECULAR FORMULA: C23H23N3O3
MOLECULAR WEIGHT: 389.44702
SMILES: COC1=CC(=C2C(=C1)C=CC=N2)NCCCCCN3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 6623-92-3
CAS Name: 5-hexyl-2,4-dihydroxybenzenesulfonic acid
OPENEYE Name: 5-hexyl-2,4-dihydroxy-benzenesulfonic acid
IUPAC Name: 5-hexyl-2,4-dihydroxybenzenesulfonic acid
SYSTEMATIC NAME: 5-hexyl-2,4-bis(oxidanyl)benzenesulfonic acid
MOLECULAR FORMULA: C12H18O5S
MOLECULAR WEIGHT: 274.33332
SMILES: CCCCCCC1=CC(=C(C=C1O)O)S(=O)(=O)O
Structure:
CAS RN: 56964-83-1
CAS Name: 2-[2-amino-6-(butan-2-ylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(2-amino-6-sec-butylsulfanyl-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(2-amino-6-butan-2-ylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(2-azanyl-6-butan-2-ylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C14H21N5O4S
MOLECULAR WEIGHT: 355.41264
SMILES: CCC(C)SC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N
Structure:
CAS RN: 3678-18-0
CAS Name: bis(2-methyl-1-aziridinyl)-propoxy-sulfanylidenephosphorane
OPENEYE Name: bis(2-methylaziridin-1-yl)-propoxy-thioxo-$l^{5}-phosphane
IUPAC Name: bis(2-methylaziridin-1-yl)-propoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: bis(2-methylaziridin-1-yl)-propoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C9H19N2OPS
MOLECULAR WEIGHT: 234.298721
SMILES: CCCOP(=S)(N1CC1C)N2CC2C
Structure:
CAS RN: 2588-44-5
CAS Name: ethoxy-bis(2-methyl-1-aziridinyl)-sulfanylidenephosphorane
OPENEYE Name: ethoxy-bis(2-methylaziridin-1-yl)-thioxo-$l^{5}-phosphane
IUPAC Name: ethoxy-bis(2-methylaziridin-1-yl)-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: ethoxy-bis(2-methylaziridin-1-yl)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C8H17N2OPS
MOLECULAR WEIGHT: 220.272141
SMILES: CCOP(=S)(N1CC1C)N2CC2C
Structure:
CAS RN: 33323-47-6
CAS Name: 4,4',7',7'-tetramethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]
OPENEYE Name: 1',4,7',7'-tetramethylspiro[1,3-dioxolane-2,2'-norbornane]
IUPAC Name: 4,4',7',7'-tetramethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]
SYSTEMATIC NAME: 4,4',7',7'-tetramethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]
MOLECULAR FORMULA: C13H22O2
MOLECULAR WEIGHT: 210.31258
SMILES: CC1COC2(O1)CC3CCC2(C3(C)C)C
Structure:
CAS RN: 18501-53-6
CAS Name: 4',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]
OPENEYE Name: 1',7',7'-trimethylspiro[1,3-dioxolane-2,2'-norbornane]
IUPAC Name: 4',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]
SYSTEMATIC NAME: 4',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]
MOLECULAR FORMULA: C12H20O2
MOLECULAR WEIGHT: 196.286
SMILES: CC1(C2CCC1(C3(C2)OCCO3)C)C
Structure:
CAS RN: 6624-17-5
CAS Name: 2-hexadecyl-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium
OPENEYE Name: 2-hexadecyl-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium
IUPAC Name: 2-hexadecyl-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium
SYSTEMATIC NAME: 2-hexadecyl-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium
MOLECULAR FORMULA: C25H50N+
MOLECULAR WEIGHT: 364.6712
SMILES: CCCCCCCCCCCCCCCC[N+]1(CC2CCCCC2C1)C
Structure:
CAS RN: 7148-33-6
CAS Name: 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)pentyl-diethyl-methylammonium
OPENEYE Name: 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)pentyl-diethyl-methyl-ammonium
IUPAC Name: 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)pentyl-diethyl-methylazanium
SYSTEMATIC NAME: 4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]pentyl-diethyl-methyl-azanium
MOLECULAR FORMULA: C18H33N2O2+
MOLECULAR WEIGHT: 309.46682
SMILES: CC[N+](C)(CC)CCCC(C)N1C(=O)C2CCCCC2C1=O
Structure:
CAS RN: 6624-10-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H20N2O3
MOLECULAR WEIGHT: 252.3095
SMILES: CC12CCC(O1)C3C2C(=O)N(C3=O)CCN(C)C
Structure:
CAS RN: 6624-06-2
CAS Name: 1,1,3,3-tetraphenylisobenzofuran
OPENEYE Name: 1,1,3,3-tetraphenylisobenzofuran
IUPAC Name: 1,1,3,3-tetraphenyl-2-benzofuran
SYSTEMATIC NAME: 1,1,3,3-tetraphenyl-2-benzofuran
MOLECULAR FORMULA: C32H24O
MOLECULAR WEIGHT: 424.53236
SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3C(O2)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 5373-30-8
CAS Name: N1,N4-bis[4-(2-amino-2-iminoethyl)phenyl]benzene-1,4-dicarboxamide
OPENEYE Name: N1,N4-bis[4-(2-amino-2-imino-ethyl)phenyl]terephthalamide
IUPAC Name: 1-N,4-N-bis[4-(2-amino-2-iminoethyl)phenyl]benzene-1,4-dicarboxamide
SYSTEMATIC NAME: N1,N4-bis[4-(2-azanyl-2-azanylidene-ethyl)phenyl]benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C24H24N6O2
MOLECULAR WEIGHT: 428.48636
SMILES: C1=CC(=CC=C1CC(=N)N)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC(=N)N
Structure:
CAS RN: 7399-04-4
CAS Name: 2-[3-[(6-methoxy-8-quinolinyl)amino]propyl]isoindole-1,3-dione
OPENEYE Name: 2-[3-[(6-methoxy-8-quinolyl)amino]propyl]isoindoline-1,3-dione
IUPAC Name: 2-[3-[(6-methoxyquinolin-8-yl)amino]propyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[3-[(6-methoxyquinolin-8-yl)amino]propyl]isoindole-1,3-dione
MOLECULAR FORMULA: C21H19N3O3
MOLECULAR WEIGHT: 361.39386
SMILES: COC1=CC(=C2C(=C1)C=CC=N2)NCCCN3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 5845-29-4
CAS Name: 1-(3-bromopropyl)-4-methylpiperazine
OPENEYE Name: 1-(3-bromopropyl)-4-methyl-piperazine
IUPAC Name: 1-(3-bromopropyl)-4-methylpiperazine
SYSTEMATIC NAME: 1-(3-bromanylpropyl)-4-methyl-piperazine
MOLECULAR FORMULA: C8H17BrN2
MOLECULAR WEIGHT: 221.13798
SMILES: CN1CCN(CC1)CCCBr
Structure:
CAS RN: 16791-41-6
CAS Name: 2-bromo-4,5-dimethoxyaniline
OPENEYE Name: 2-bromo-4,5-dimethoxy-aniline
IUPAC Name: 2-bromo-4,5-dimethoxyaniline
SYSTEMATIC NAME: 2-bromanyl-4,5-dimethoxy-aniline
MOLECULAR FORMULA: C8H10BrNO2
MOLECULAR WEIGHT: 232.0745
SMILES: COC1=C(C=C(C(=C1)N)Br)OC
Structure:
CAS RN: 4710-34-3
CAS Name: 2-hydroxy-1-octadecanesulfonic acid
OPENEYE Name: 2-hydroxyoctadecane-1-sulfonic acid
IUPAC Name: 2-hydroxyoctadecane-1-sulfonic acid
SYSTEMATIC NAME: 2-oxidanyloctadecane-1-sulfonic acid
MOLECULAR FORMULA: C18H38O4S
MOLECULAR WEIGHT: 350.55692
SMILES: CCCCCCCCCCCCCCCCC(CS(=O)(=O)O)O
Structure:
CAS RN: 3261-25-4
CAS Name: bis(2,2-dimethyl-1-aziridinyl)-propoxy-sulfanylidenephosphorane
OPENEYE Name: bis(2,2-dimethylaziridin-1-yl)-propoxy-thioxo-$l^{5}-phosphane
IUPAC Name: bis(2,2-dimethylaziridin-1-yl)-propoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: bis(2,2-dimethylaziridin-1-yl)-propoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C11H23N2OPS
MOLECULAR WEIGHT: 262.351881
SMILES: CCCOP(=S)(N1CC1(C)C)N2CC2(C)C
Structure:
CAS RN: 6951-22-0
CAS Name: 3-[4-(5-oxo-2H-oxadiazol-3-ium-3-yl)butyl]-2H-oxadiazol-3-ium-5-one
OPENEYE Name: 3-[4-(5-oxo-2H-oxadiazol-3-ium-3-yl)butyl]-2H-oxadiazol-3-ium-5-one
IUPAC Name: 3-[4-(5-oxo-2H-oxadiazol-3-ium-3-yl)butyl]-2H-oxadiazol-3-ium-5-one
SYSTEMATIC NAME: 3-[4-(5-oxidanylidene-2H-1,2,3-oxadiazol-3-ium-3-yl)butyl]-2H-1,2,3-oxadiazol-3-ium-5-one
MOLECULAR FORMULA: C8H12N4O4+2
MOLECULAR WEIGHT: 228.20528
SMILES: C1=[N+](NOC1=O)CCCC[N+]2=CC(=O)ON2
Structure:
CAS RN: 7403-61-4
CAS Name: 3-[2-(5-oxo-2H-oxadiazol-3-ium-3-yl)ethyl]-2H-oxadiazol-3-ium-5-one
OPENEYE Name: 3-[2-(5-oxo-2H-oxadiazol-3-ium-3-yl)ethyl]-2H-oxadiazol-3-ium-5-one
IUPAC Name: 3-[2-(5-oxo-2H-oxadiazol-3-ium-3-yl)ethyl]-2H-oxadiazol-3-ium-5-one
SYSTEMATIC NAME: 3-[2-(5-oxidanylidene-2H-1,2,3-oxadiazol-3-ium-3-yl)ethyl]-2H-1,2,3-oxadiazol-3-ium-5-one
MOLECULAR FORMULA: C6H8N4O4+2
MOLECULAR WEIGHT: 200.15212
SMILES: C1=[N+](NOC1=O)CC[N+]2=CC(=O)ON2
Structure:
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