CAS RN: 56240-96-1
CAS Name: hexanoic acid (1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidinyl) ester
OPENEYE Name: (1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidyl) hexanoate
IUPAC Name: (1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanoate
SYSTEMATIC NAME: (1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-piperidin-4-yl) hexanoate
MOLECULAR FORMULA: C15H28NO3
MOLECULAR WEIGHT: 270.38772
SMILES: CCCCCC(=O)OC1CC(N(C(C1)(C)C)[O])(C)C
Structure:
CAS RN: 56222-04-9
CAS Name: (3R,4S)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine hydrochloride
OPENEYE Name: (3R,4S)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenyl-piperidine hydrochloride
IUPAC Name: (3R,4S)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine hydrochloride
SYSTEMATIC NAME: (3R,4S)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenyl-piperidine hydrochloride
MOLECULAR FORMULA: C20H26ClNO2
MOLECULAR WEIGHT: 347.87894
SMILES: CN1CC[C@@H]([C@H](C1)COC2=CC=C(C=C2)OC)C3=CC=CC=C3.Cl
Structure:
CAS RN: 56195-50-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H23NO3
MOLECULAR WEIGHT: 325.40152
SMILES: COC1=C2C3=C(CC4[C@H]5[C@]3(CCN4CC=C)[C@@H](O2)[C@H](C=C5)O)C=C1
Structure:
CAS RN: 56177-76-5
CAS Name: 2-(3,4-dichlorophenyl)-2,2-difluoroacetic acid ethyl ester
OPENEYE Name: ethyl 2-(3,4-dichlorophenyl)-2,2-difluoro-acetate
IUPAC Name: ethyl 2-(3,4-dichlorophenyl)-2,2-difluoroacetate
SYSTEMATIC NAME: ethyl 2-(3,4-dichlorophenyl)-2,2-bis(fluoranyl)ethanoate
MOLECULAR FORMULA: C10H8Cl2F2O2
MOLECULAR WEIGHT: 269.072126
SMILES: CCOC(=O)C(C1=CC(=C(C=C1)Cl)Cl)(F)F
Structure:
CAS RN: 56149-29-2
CAS Name: 2-chloro-N-phenyl-3-pyridinecarboxamide
OPENEYE Name: 2-chloro-N-phenyl-pyridine-3-carboxamide
IUPAC Name: 2-chloro-N-phenylpyridine-3-carboxamide
SYSTEMATIC NAME: 2-chloranyl-N-phenyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C12H9ClN2O
MOLECULAR WEIGHT: 232.66566
SMILES: C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)Cl
Structure:
CAS RN: 56136-29-9
CAS Name: 2-[[(5-amino-5-carboxy-1-oxopentyl)amino]-carboxymethyl]-5-formyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
OPENEYE Name: 2-[[(5-amino-5-carboxy-pentanoyl)amino]-carboxy-methyl]-5-formyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
IUPAC Name: 2-[[(5-amino-5-carboxypentanoyl)amino]-carboxymethyl]-5-formyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
SYSTEMATIC NAME: 2-[1-[(5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-methanoyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
MOLECULAR FORMULA: C14H19N3O8S
MOLECULAR WEIGHT: 389.38096
SMILES: C1C(=C(NC(S1)C(C(=O)O)NC(=O)CCCC(C(=O)O)N)C(=O)O)C=O
Structure:
CAS RN: 56101-27-0
CAS Name: 4-[[(8R,9S,10S,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methoxy]-4-oxobutanoic acid
OPENEYE Name: 4-[[(8R,9S,10S,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methoxy]-4-oxo-butanoic acid
IUPAC Name: 4-[[(8R,9S,10S,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methoxy]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[(8R,9S,10S,13S,14S,17S)-13-methyl-17-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methoxy]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C23H32O6
MOLECULAR WEIGHT: 404.49658
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34COC(=O)CCC(=O)O
Structure:
CAS RN: 56081-97-1
CAS Name: dipotassium ruthenium(4+) hexacyanide
OPENEYE Name: dipotassium ruthenium(4+) hexacyanide
IUPAC Name: dipotassium ruthenium(4+) hexacyanide
SYSTEMATIC NAME: dipotassium ruthenium(4+) hexacyanide
MOLECULAR FORMULA: C6K2N6Ru
MOLECULAR WEIGHT: 335.371
SMILES: [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[Ru+4]
Structure:
CAS RN: 56049-89-9
CAS Name: 2-[[(2R)-6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl]oxy]acetic acid
OPENEYE Name: 2-[(2R)-6,7-dichloro-2-methyl-1-oxo-2-phenyl-indan-5-yl]oxyacetic acid
IUPAC Name: 2-[[(2R)-6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl]oxy]acetic acid
SYSTEMATIC NAME: 2-[[(2R)-6,7-bis(chloranyl)-2-methyl-1-oxidanylidene-2-phenyl-3H-inden-5-yl]oxy]ethanoic acid
MOLECULAR FORMULA: C18H14Cl2O4
MOLECULAR WEIGHT: 365.20736
SMILES: C[C@@]1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3=CC=CC=C3
Structure:
CAS RN: 56039-13-5
CAS Name: [(2R,3S,4R,5R)-5-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-azanyl-4-oxidanylidene-5H-imidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C11H15N4O8P
MOLECULAR WEIGHT: 362.232561
SMILES: C1=C(NC(=O)C2=C1N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
Structure:
CAS RN: 56005-10-8
CAS Name: 2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-hydroxy-5-methoxy-3-undecyl-1,4-benzoquinone
IUPAC Name: 2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 5-methoxy-2-oxidanyl-3-undecyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C18H28O4
MOLECULAR WEIGHT: 308.41252
SMILES: CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O
Structure:
CAS RN: 56003-01-1
CAS Name: 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-chromen-4-one
IUPAC Name: 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxychromen-4-one
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-6,8-dimethoxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C19H18O8
MOLECULAR WEIGHT: 374.34142
SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3O)OC)O)OC)OC
Structure:
CAS RN: 56000-13-6
CAS Name: 4-chlorobenzenesulfonic acid cyanomethyl ester
OPENEYE Name: cyanomethyl 4-chlorobenzenesulfonate
IUPAC Name: cyanomethyl 4-chlorobenzenesulfonate
SYSTEMATIC NAME: cyanomethyl 4-chloranylbenzenesulfonate
MOLECULAR FORMULA: C8H6ClNO3S
MOLECULAR WEIGHT: 231.65614
SMILES: C1=CC(=CC=C1S(=O)(=O)OCC#N)Cl
Structure:
CAS RN: 55993-98-1
CAS Name: 2-methylenehexanoic acid; 2-methyl-2-propenoic acid 2-hydroxyethyl ester; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid; styrene
OPENEYE Name: acrylic acid; 2-hydroxyethyl 2-methylprop-2-enoate; 2-methylenehexanoic acid; methyl 2-methylprop-2-enoate; styrene
IUPAC Name: 2-hydroxyethyl 2-methylprop-2-enoate; 2-methylidenehexanoic acid; methyl 2-methylprop-2-enoate; prop-2-enoic acid; styrene
SYSTEMATIC NAME: ethenylbenzene; 2-hydroxyethyl 2-methylprop-2-enoate; 2-methylidenehexanoic acid; methyl 2-methylprop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C29H42O9
MOLECULAR WEIGHT: 534.63838
SMILES: CCCCC(=C)C(=O)O.CC(=C)C(=O)OC.CC(=C)C(=O)OCCO.C=CC1=CC=CC=C1.C=CC(=O)O
Structure:
CAS RN: 67846-53-1
CAS Name: 2-methylenehexanoic acid; 2-methyl-2-propenoic acid 2-hydroxyethyl ester; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid; styrene
OPENEYE Name: acrylic acid; 2-hydroxyethyl 2-methylprop-2-enoate; 2-methylenehexanoic acid; methyl 2-methylprop-2-enoate; styrene
IUPAC Name: 2-hydroxyethyl 2-methylprop-2-enoate; 2-methylidenehexanoic acid; methyl 2-methylprop-2-enoate; prop-2-enoic acid; styrene
SYSTEMATIC NAME: ethenylbenzene; 2-hydroxyethyl 2-methylprop-2-enoate; 2-methylidenehexanoic acid; methyl 2-methylprop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C29H42O9
MOLECULAR WEIGHT: 534.63838
SMILES: CCCCC(=C)C(=O)O.CC(=C)C(=O)OC.CC(=C)C(=O)OCCO.C=CC1=CC=CC=C1.C=CC(=O)O
Structure:
CAS RN: 55981-23-2
CAS Name: 3-[(4-chlorophenyl)-phenylmethyl]-9-oxa-3-aza-6-azoniaspiro[5.5]undecane chloride hydrochloride
OPENEYE Name: 3-[(4-chlorophenyl)-phenyl-methyl]-9-oxa-3-aza-6-azoniaspiro[5.5]undecane chloride hydrochloride
IUPAC Name: 3-[(4-chlorophenyl)-phenylmethyl]-9-oxa-3-aza-6-azoniaspiro[5.5]undecane chloride hydrochloride
SYSTEMATIC NAME: 3-[(4-chlorophenyl)-phenyl-methyl]-9-oxa-3-aza-6-azoniaspiro[5.5]undecane chloride hydrochloride
MOLECULAR FORMULA: C21H27Cl3N2O
MOLECULAR WEIGHT: 429.81088
SMILES: C1C[N+]2(CCN1C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)CCOCC2.Cl.[Cl-]
Structure:
CAS RN: 55911-95-0
CAS Name: carbamic acid; propane-1,2-diamine
OPENEYE Name: carbamic acid; propane-1,2-diamine
IUPAC Name: carbamic acid; propane-1,2-diamine
SYSTEMATIC NAME: carbamic acid; propane-1,2-diamine
MOLECULAR FORMULA: C4H13N3O2
MOLECULAR WEIGHT: 135.16492
SMILES: CC(CN)N.C(=O)(N)O
Structure:
CAS RN: 55854-33-6
CAS Name: 2-methyl-2-propenoic acid; 2-methyl-2-propenoic acid butyl ester; 2-methyl-2-propenoic acid 2-hydroxyethyl ester; styrene
OPENEYE Name: butyl 2-methylprop-2-enoate; 2-hydroxyethyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; styrene
IUPAC Name: butyl 2-methylprop-2-enoate; 2-hydroxyethyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; styrene
SYSTEMATIC NAME: butyl 2-methylprop-2-enoate; ethenylbenzene; 2-hydroxyethyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C26H38O7
MOLECULAR WEIGHT: 462.57572
SMILES: CCCCOC(=O)C(=C)C.CC(=C)C(=O)O.CC(=C)C(=O)OCCO.C=CC1=CC=CC=C1
Structure:
CAS RN: 55831-94-2
CAS Name: 1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea
OPENEYE Name: 1-(diaminomethylene)-3-(2,6-dimethylphenyl)urea
IUPAC Name: 1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-3-(2,6-dimethylphenyl)urea
MOLECULAR FORMULA: C10H14N4O
MOLECULAR WEIGHT: 206.24436
SMILES: CC1=C(C(=CC=C1)C)NC(=O)N=C(N)N
Structure:
CAS RN: 55809-36-4
CAS Name: 5-tert-butyl-3-isoxazolamine
OPENEYE Name: 5-tert-butylisoxazol-3-amine
IUPAC Name: 5-tert-butyl-1,2-oxazol-3-amine
SYSTEMATIC NAME: 5-tert-butyl-1,2-oxazol-3-amine
MOLECULAR FORMULA: C7H12N2O
MOLECULAR WEIGHT: 140.18298
SMILES: CC(C)(C)C1=CC(=NO1)N
Structure:
CAS RN: 55748-93-1
CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid (4-acetamidophenyl) ester
OPENEYE Name: (4-acetamidophenyl) (2R)-2-acetamido-3-sulfanyl-propanoate
IUPAC Name: (4-acetamidophenyl) (2R)-2-acetamido-3-sulfanylpropanoate
SYSTEMATIC NAME: (4-acetamidophenyl) (2R)-2-acetamido-3-sulfanyl-propanoate
MOLECULAR FORMULA: C13H16N2O4S
MOLECULAR WEIGHT: 296.34214
SMILES: CC(=O)NC1=CC=C(C=C1)OC(=O)[C@H](CS)NC(=O)C
Structure:
CAS RN: 55745-35-2
CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]thiazole
OPENEYE Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]thiazole
IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-1,3-thiazole
SYSTEMATIC NAME: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-1,3-thiazole
MOLECULAR FORMULA: C16H19N3OS
MOLECULAR WEIGHT: 301.40656
SMILES: C1COC2=C1C=C(C=C2)CN3CCN(CC3)C4=NC=CS4
Structure:
CAS RN: 55738-53-9
CAS Name: 1-amino-2-propanol; 16-methylheptadecanoic acid
OPENEYE Name: 1-aminopropan-2-ol; 16-methylheptadecanoic acid
IUPAC Name: 1-aminopropan-2-ol; 16-methylheptadecanoic acid
SYSTEMATIC NAME: 1-azanylpropan-2-ol; 16-methylheptadecanoic acid
MOLECULAR FORMULA: C21H45NO3
MOLECULAR WEIGHT: 359.5869
SMILES: CC(C)CCCCCCCCCCCCCCC(=O)O.CC(CN)O
Structure:
CAS RN: 55726-37-9
CAS Name: 4-[[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-oxo-4-pyrimidinyl]amino]-4-oxobutanoic acid
OPENEYE Name: 4-[[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]amino]-4-oxo-butanoic acid
IUPAC Name: 4-[[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[1-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C13H17N3O8
MOLECULAR WEIGHT: 343.28938
SMILES: C1=CN(C(=O)N=C1NC(=O)CCC(=O)O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
Structure:
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