CAS RN: 53304-46-4
CAS Name: 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid
OPENEYE Name: 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid
IUPAC Name: 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid
SYSTEMATIC NAME: 3-(3-oxidanylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid
MOLECULAR FORMULA: C9H9N3O3
MOLECULAR WEIGHT: 207.18606
SMILES: C1=CC2=NN(C(=O)N2C=C1)CCC(=O)O
Structure:
CAS RN: 11013-30-2
CAS Name: 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid [6-[[4',7-dihydroxy-6-[[3-hydroxy-2-[[4-hydroxy-6-[[7'-hydroxy-7-methoxy-7'-(1-methoxyethyl)-6-spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]yl]o
OPENEYE Name: [6-[4',7-dihydroxy-6-[3-hydroxy-2-[4-hydroxy-6-[7'-hydroxy-7-methoxy-7'-(1-methoxyethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-5-methoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-5-m
IUPAC Name: [6-[4',7-dihydroxy-6-[3-hydroxy-2-[4-hydroxy-6-[7'-hydroxy-7-methoxy-7'-(1-methoxyethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-5-methoxy-6-me
SYSTEMATIC NAME: [4-(5-methoxy-4,6-dimethyl-4-nitro-oxan-2-yl)oxy-6-[6-[5-methoxy-2-[5-methoxy-6-[7-methoxy-7'-(1-methoxyethyl)-7'-oxidanyl-spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-2-(methoxymethyl)-4-
MOLECULAR FORMULA: C66H99Cl2NO36
MOLECULAR WEIGHT: 1553.38336
SMILES: CC1C(C(CC(O1)OC2C(OC3(CC2O)OC4C(OC(C(C4(O3)C)O)OC5C(C(OC(C5OC)C)OC6C(OC(C(C6O)OC)OC7C(C8C(CO7)OC9(O8)C1C(C(CO9)(C(C)OC)O)OCO1)OC)COC)O)C)C)OC1CC(C(C(O1)C)OC)(C)[N+](=O)[O-])OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C
Structure:
CAS RN: 50925-95-6
CAS Name: 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid [6-[[4',7-dihydroxy-6-[[3-hydroxy-2-[[4-hydroxy-6-[[7'-hydroxy-7-methoxy-7'-(1-methoxyethyl)-6-spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]yl]o
OPENEYE Name: [6-[4',7-dihydroxy-6-[3-hydroxy-2-[4-hydroxy-6-[7'-hydroxy-7-methoxy-7'-(1-methoxyethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-5-methoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-5-m
IUPAC Name: [6-[4',7-dihydroxy-6-[3-hydroxy-2-[4-hydroxy-6-[7'-hydroxy-7-methoxy-7'-(1-methoxyethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-5-methoxy-6-me
SYSTEMATIC NAME: [4-(5-methoxy-4,6-dimethyl-4-nitro-oxan-2-yl)oxy-6-[6-[5-methoxy-2-[5-methoxy-6-[7-methoxy-7'-(1-methoxyethyl)-7'-oxidanyl-spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-2-(methoxymethyl)-4-
MOLECULAR FORMULA: C66H99Cl2NO36
MOLECULAR WEIGHT: 1553.38336
SMILES: CC1C(C(CC(O1)OC2C(OC3(CC2O)OC4C(OC(C(C4(O3)C)O)OC5C(C(OC(C5OC)C)OC6C(OC(C(C6O)OC)OC7C(C8C(CO7)OC9(O8)C1C(C(CO9)(C(C)OC)O)OCO1)OC)COC)O)C)C)OC1CC(C(C(O1)C)OC)(C)[N+](=O)[O-])OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C
Structure:
CAS RN: 53296-30-3
CAS Name: 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid [6-[[4',7-dihydroxy-6-[[3-hydroxy-2-[[4-hydroxy-6-[[7'-hydroxy-7-methoxy-7'-(1-methoxyethyl)-6-spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]yl]o
OPENEYE Name: [6-[4',7-dihydroxy-6-[3-hydroxy-2-[4-hydroxy-6-[7'-hydroxy-7-methoxy-7'-(1-methoxyethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-5-methoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-5-m
IUPAC Name: [6-[4',7-dihydroxy-6-[3-hydroxy-2-[4-hydroxy-6-[7'-hydroxy-7-methoxy-7'-(1-methoxyethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-5-methoxy-6-me
SYSTEMATIC NAME: [4-(5-methoxy-4,6-dimethyl-4-nitro-oxan-2-yl)oxy-6-[6-[5-methoxy-2-[5-methoxy-6-[7-methoxy-7'-(1-methoxyethyl)-7'-oxidanyl-spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-2-(methoxymethyl)-4-
MOLECULAR FORMULA: C66H99Cl2NO36
MOLECULAR WEIGHT: 1553.38336
SMILES: CC1C(C(CC(O1)OC2C(OC3(CC2O)OC4C(OC(C(C4(O3)C)O)OC5C(C(OC(C5OC)C)OC6C(OC(C(C6O)OC)OC7C(C8C(CO7)OC9(O8)C1C(C(CO9)(C(C)OC)O)OCO1)OC)COC)O)C)C)OC1CC(C(C(O1)C)OC)(C)[N+](=O)[O-])OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C
Structure:
CAS RN: 53188-20-8
CAS Name: 3-[(1R)-1-phenylethyl]-4-imidazolecarboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate hydrochloride
IUPAC Name: ethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate hydrochloride
MOLECULAR FORMULA: C14H17ClN2O2
MOLECULAR WEIGHT: 280.74998
SMILES: CCOC(=O)C1=CN=CN1[C@H](C)C2=CC=CC=C2.Cl
Structure:
CAS RN: 53034-67-6
CAS Name: 2-cyclopentyl-2-hydroxy-3-pentynoic acid (1-methyl-4-piperidinyl) ester
OPENEYE Name: (1-methyl-4-piperidyl) 2-cyclopentyl-2-hydroxy-pent-3-ynoate
IUPAC Name: (1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxypent-3-ynoate
SYSTEMATIC NAME: (1-methylpiperidin-4-yl) 2-cyclopentyl-2-oxidanyl-pent-3-ynoate
MOLECULAR FORMULA: C16H25NO3
MOLECULAR WEIGHT: 279.3746
SMILES: CC#CC(C1CCCC1)(C(=O)OC2CCN(CC2)C)O
Structure:
CAS RN: 52898-98-3
CAS Name: octadecanoic acid [4-methyl-7-(1-methylethenyl)-6,7-dihydroazulen-1-yl]methyl ester
OPENEYE Name: (7-isopropenyl-4-methyl-6,7-dihydroazulen-1-yl)methyl octadecanoate
IUPAC Name: (4-methyl-7-prop-1-en-2-yl-6,7-dihydroazulen-1-yl)methyl octadecanoate
SYSTEMATIC NAME: (4-methyl-7-prop-1-en-2-yl-6,7-dihydroazulen-1-yl)methyl octadecanoate
MOLECULAR FORMULA: C33H52O2
MOLECULAR WEIGHT: 480.76478
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=CC(CC=C2C)C(=C)C
Structure:
CAS RN: 52775-89-0
CAS Name: 1,5-dimethyl-3-methylene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylic acid methyl ester
OPENEYE Name: methyl 1,5-dimethyl-3-methylene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylate
IUPAC Name: methyl 1,5-dimethyl-3-methylidene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylate
SYSTEMATIC NAME: methyl 1,5-dimethyl-3-methylidene-4-oxidanylidene-6-oxabicyclo[3.1.0]hexane-2-carboxylate
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: CC12C(C(=C)C(=O)C1(O2)C)C(=O)OC
Structure:
CAS RN: 52665-75-5
CAS Name: 4-[(2-amino-3-hydroxy-2-methyl-1-oxopropyl)amino]-N-[1-[5-[[5-(dimethylamino)-3,4-dihydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]-2-oxo-4-pyrimidinyl]benzamide
OPENEYE Name: 4-[(2-amino-3-hydroxy-2-methyl-propanoyl)amino]-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide
IUPAC Name: 4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide
SYSTEMATIC NAME: 4-[(2-azanyl-2-methyl-3-oxidanyl-propanoyl)amino]-N-[1-[5-[5-(dimethylamino)-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C29H42N6O10
MOLECULAR WEIGHT: 634.67798
SMILES: CC1C(C(C(C(O1)OC2C(OC(CC2O)N3C=CC(=NC3=O)NC(=O)C4=CC=C(C=C4)NC(=O)C(C)(CO)N)C)O)O)N(C)C
Structure:
CAS RN: 52623-84-4
CAS Name: disodium oxido(oxo)borane chlorate
OPENEYE Name: disodium oxido(oxo)borane chlorate
IUPAC Name: disodium oxido(oxo)borane chlorate
SYSTEMATIC NAME: disodium oxidanidyl(oxidanylidene)borane chlorate
MOLECULAR FORMULA: BClNa2O5
MOLECULAR WEIGHT: 172.24054
SMILES: B(=O)[O-].[O-]Cl(=O)=O.[Na+].[Na+]
Structure:
CAS RN: 52293-23-9
CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine; methanesulfonic acid
OPENEYE Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine; methanesulfonic acid
IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine; methanesulfonic acid
SYSTEMATIC NAME: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine; methanesulfonic acid
MOLECULAR FORMULA: C17H22N4O5S
MOLECULAR WEIGHT: 394.44538
SMILES: CS(=O)(=O)O.C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4
Structure:
CAS RN: 52236-34-7
CAS Name: acetic acid [4-(diphenylmethylene)-2-ethyl-3-methylcyclohexyl] ester
OPENEYE Name: (4-benzhydrylidene-2-ethyl-3-methyl-cyclohexyl) acetate
IUPAC Name: (4-benzhydrylidene-2-ethyl-3-methylcyclohexyl) acetate
SYSTEMATIC NAME: [4-(diphenylmethylidene)-2-ethyl-3-methyl-cyclohexyl] ethanoate
MOLECULAR FORMULA: C24H28O2
MOLECULAR WEIGHT: 348.47792
SMILES: CCC1C(C(=C(C2=CC=CC=C2)C3=CC=CC=C3)CCC1OC(=O)C)C
Structure:
CAS RN: 52223-83-3
CAS Name: 2-methylpropanoic acid [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2-methyl-1-oxopropoxy)phenyl] ester hydrobromide
OPENEYE Name: [3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate hydrobromide
IUPAC Name: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate hydrobromide
SYSTEMATIC NAME: [3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate hydrobromide
MOLECULAR FORMULA: C20H32BrNO5
MOLECULAR WEIGHT: 446.37578
SMILES: CC(C)C(=O)OC1=CC(=CC(=C1)C(CNC(C)(C)C)O)OC(=O)C(C)C.Br
Structure:
CAS RN: 52211-63-9
CAS Name: 3-[(3R,4R)-3-ethenyl-4-piperidinyl]-1-(6-methoxy-4-quinolinyl)-1-propanone hydrochloride
OPENEYE Name: 1-(6-methoxy-4-quinolyl)-3-[(3R,4R)-3-vinyl-4-piperidyl]propan-1-one hydrochloride
IUPAC Name: 3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-one hydrochloride
SYSTEMATIC NAME: 3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-one hydrochloride
MOLECULAR FORMULA: C20H25ClN2O2
MOLECULAR WEIGHT: 360.8777
SMILES: COC1=CC2=C(C=CN=C2C=C1)C(=O)CC[C@@H]3CCNC[C@@H]3C=C.Cl
Structure:
CAS RN: 52182-02-2
CAS Name: acetic acid [(3S,5R,8R,9S,10S,13R,16S,17R)-3-[[(2S,4S,5R,6R)-5-[[(2R,4S,5S,6R)-5-acetyloxy-4-hydroxy-6-methyl-2-oxanyl]oxy]-4-[[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,
OPENEYE Name: [(3S,5R,8R,9S,10S,13R,16S,17R)-3-[(2S,4S,5R,6R)-5-[(2R,4S,5S,6R)-5-acetoxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2
IUPAC Name: [(3S,5R,8R,9S,10S,13R,16S,17R)-3-[(2S,4S,5R,6R)-5-[(2R,4S,5S,6R)-5-acetyloxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11
SYSTEMATIC NAME: [(3S,5R,8R,9S,10S,13R,16S,17R)-3-[(2S,4S,5R,6R)-5-[(2R,4S,5S,6R)-5-acetyloxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-6-methyl-4-[(2R,4S,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,
MOLECULAR FORMULA: C45H68O16
MOLECULAR WEIGHT: 865.01182
SMILES: C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2C[C@H](O[C@@H]([C@H]2O[C@@H]3C[C@@H]([C@@H]([C@H](O3)C)OC(=O)C)O)C)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7(C6(C[C@@H]([C@@H]7C8=CC(=O)OC8)OC(=O)C)O)C)C)O)O
Structure:
CAS RN: 52175-10-7
CAS Name: phosphoric acid; 7H-purin-6-amine
OPENEYE Name: phosphoric acid; 7H-purin-6-amine
IUPAC Name: phosphoric acid; 7H-purin-6-amine
SYSTEMATIC NAME: phosphoric acid; 7H-purin-6-amine
MOLECULAR FORMULA: C5H8N5O4P
MOLECULAR WEIGHT: 233.121881
SMILES: C1=NC2=C(N1)C(=NC=N2)N.OP(=O)(O)O
Structure:
CAS RN: 52101-49-2
CAS Name: 1-(5-nitro-3,4-diphenyl-2-furanyl)ethanone
OPENEYE Name: 1-(5-nitro-3,4-diphenyl-2-furyl)ethanone
IUPAC Name: 1-(5-nitro-3,4-diphenylfuran-2-yl)ethanone
SYSTEMATIC NAME: 1-(5-nitro-3,4-diphenyl-furan-2-yl)ethanone
MOLECULAR FORMULA: C18H13NO4
MOLECULAR WEIGHT: 307.30012
SMILES: CC(=O)C1=C(C(=C(O1)[N+](=O)[O-])C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 51989-44-7
CAS Name: [[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methylthio]phosphonic acid
OPENEYE Name: [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridyl]methylsulfanylphosphonic acid
IUPAC Name: [4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methylsulfanylphosphonic acid
SYSTEMATIC NAME: [4-(aminomethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methylsulfanylphosphonic acid
MOLECULAR FORMULA: C8H13N2O4PS
MOLECULAR WEIGHT: 264.238581
SMILES: CC1=NC=C(C(=C1O)CN)CSP(=O)(O)O
Structure:
CAS RN: 51912-10-8
CAS Name: 4-oxo-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-olate; thallium(1+)
OPENEYE Name: 4-oxo-3-(3-oxo-1-phenyl-butyl)chromen-2-olate; thallium(1+)
IUPAC Name: 4-oxo-3-(3-oxo-1-phenylbutyl)chromen-2-olate; thallium(1+)
SYSTEMATIC NAME: 4-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)chromen-2-olate; thallium(1+)
MOLECULAR FORMULA: C19H15O4Tl
MOLECULAR WEIGHT: 511.7033
SMILES: CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)[O-].[Tl+]
Structure:
CAS RN: 51855-99-3
CAS Name: (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-5-amino-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6S)-5-amino-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6S)-5-amino-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6S)-5-azanyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C12H23NO10
MOLECULAR WEIGHT: 341.31172
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)N)O
Structure:
CAS RN: 51846-97-0
CAS Name: 2-[4,6-diamino-3-[[3-amino-6-(aminomethyl)-4,5-dihydroxy-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
OPENEYE Name: 2-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol
IUPAC Name: 2-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
SYSTEMATIC NAME: 2-[3-[6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
MOLECULAR FORMULA: C19H39N5O9
MOLECULAR WEIGHT: 481.54106
SMILES: CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)N)N)N)O
Structure:
CAS RN: 51806-95-2
CAS Name: (2S)-5-amino-2-(1-cyanoethylamino)-5-oxopentanoic acid
OPENEYE Name: (2S)-5-amino-2-(1-cyanoethylamino)-5-oxo-pentanoic acid
IUPAC Name: (2S)-5-amino-2-(1-cyanoethylamino)-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-5-azanyl-2-(1-cyanoethylamino)-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C8H13N3O3
MOLECULAR WEIGHT: 199.20712
SMILES: CC(C#N)N[C@@H](CCC(=O)N)C(=O)O
Structure:
CAS RN: 51806-96-3
CAS Name: (2S)-5-amino-2-(1-cyanoethylamino)-5-oxopentanoic acid
OPENEYE Name: (2S)-5-amino-2-(1-cyanoethylamino)-5-oxo-pentanoic acid
IUPAC Name: (2S)-5-amino-2-(1-cyanoethylamino)-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-5-azanyl-2-(1-cyanoethylamino)-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C8H13N3O3
MOLECULAR WEIGHT: 199.20712
SMILES: CC(C#N)N[C@@H](CCC(=O)N)C(=O)O
Structure:
CAS RN: 51799-26-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H27IN2
MOLECULAR WEIGHT: 362.29275
SMILES: C1CCN2C[C@H]3C[C@@H]([C@H]2C1)CN4[C@H]3CCCC4.I
Structure:
CAS RN: 11099-12-0
CAS Name: pentane-1,2-diol; pentane-1,5-diol; pentane-1,2,5-triol
OPENEYE Name: pentane-1,2-diol; pentane-1,5-diol; pentane-1,2,5-triol
IUPAC Name: pentane-1,2-diol; pentane-1,5-diol; pentane-1,2,5-triol
SYSTEMATIC NAME: pentane-1,2-diol; pentane-1,5-diol; pentane-1,2,5-triol
MOLECULAR FORMULA: C15H36O7
MOLECULAR WEIGHT: 328.44214
SMILES: CCCC(CO)O.C(CCO)CCO.C(CC(CO)O)CO
Structure:
CAS RN: 51475-40-2
CAS Name: pentane-1,2-diol; pentane-1,5-diol; pentane-1,2,5-triol
OPENEYE Name: pentane-1,2-diol; pentane-1,5-diol; pentane-1,2,5-triol
IUPAC Name: pentane-1,2-diol; pentane-1,5-diol; pentane-1,2,5-triol
SYSTEMATIC NAME: pentane-1,2-diol; pentane-1,5-diol; pentane-1,2,5-triol
MOLECULAR FORMULA: C15H36O7
MOLECULAR WEIGHT: 328.44214
SMILES: CCCC(CO)O.C(CCO)CCO.C(CC(CO)O)CO
Structure:
CAS RN: 56630-26-3
CAS Name: pentane-1,2-diol; pentane-1,5-diol; pentane-1,2,5-triol
OPENEYE Name: pentane-1,2-diol; pentane-1,5-diol; pentane-1,2,5-triol
IUPAC Name: pentane-1,2-diol; pentane-1,5-diol; pentane-1,2,5-triol
SYSTEMATIC NAME: pentane-1,2-diol; pentane-1,5-diol; pentane-1,2,5-triol
MOLECULAR FORMULA: C15H36O7
MOLECULAR WEIGHT: 328.44214
SMILES: CCCC(CO)O.C(CCO)CCO.C(CC(CO)O)CO
Structure:
CAS RN: 51349-49-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H48N8O12S
MOLECULAR WEIGHT: 804.86702
SMILES: CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)S(=O)CC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CO)O)C)C(C)O
Structure:
CAS RN: 51234-36-7
CAS Name: 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanenitrile
OPENEYE Name: 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanenitrile
IUPAC Name: 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanenitrile
SYSTEMATIC NAME: 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanenitrile
MOLECULAR FORMULA: C16H11ClN2O
MOLECULAR WEIGHT: 282.72434
SMILES: CC(C#N)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 50846-38-3
CAS Name: 1-amino-1-cyclohexanecarbonitrile hydrochloride
OPENEYE Name: 1-aminocyclohexanecarbonitrile hydrochloride
IUPAC Name: 1-aminocyclohexane-1-carbonitrile hydrochloride
SYSTEMATIC NAME: 1-azanylcyclohexane-1-carbonitrile hydrochloride
MOLECULAR FORMULA: C7H13ClN2
MOLECULAR WEIGHT: 160.64452
SMILES: C1CCC(CC1)(C#N)N.Cl
Structure:
CAS RN: 50789-43-0
CAS Name: 3-phenoxybenzoic acid methyl ester
OPENEYE Name: methyl 3-phenoxybenzoate
IUPAC Name: methyl 3-phenoxybenzoate
SYSTEMATIC NAME: methyl 3-phenoxybenzoate
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: COC(=O)C1=CC(=CC=C1)OC2=CC=CC=C2
Structure:
CAS RN: 50722-32-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26BrNO4
MOLECULAR WEIGHT: 436.33944
SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC.Br
Structure:
CAS RN: 50655-21-5
CAS Name: acetic acid [(1S,5S)-5-hydroxy-5-(hydroxymethyl)-4-oxo-1-cyclopent-2-enyl] ester
OPENEYE Name: [(1S,5S)-5-hydroxy-5-(hydroxymethyl)-4-oxo-cyclopent-2-en-1-yl] acetate
IUPAC Name: [(1S,5S)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate
SYSTEMATIC NAME: [(1S,5S)-5-(hydroxymethyl)-5-oxidanyl-4-oxidanylidene-cyclopent-2-en-1-yl] ethanoate
MOLECULAR FORMULA: C8H10O5
MOLECULAR WEIGHT: 186.162
SMILES: CC(=O)O[C@H]1C=CC(=O)[C@@]1(CO)O
Structure:
CAS RN: 50315-49-6
CAS Name: 2,2-dimethylpropanoic acid 2-pyridinylmethyl ester
OPENEYE Name: 2-pyridylmethyl 2,2-dimethylpropanoate
IUPAC Name: pyridin-2-ylmethyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: pyridin-2-ylmethyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CC(C)(C)C(=O)OCC1=CC=CC=N1
Structure:
CAS RN: 49779-99-9
CAS Name: 2-[2-amino-4-(4-chlorophenyl)-5-thiazolyl]acetic acid
OPENEYE Name: 2-[2-amino-4-(4-chlorophenyl)thiazol-5-yl]acetic acid
IUPAC Name: 2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[2-azanyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]ethanoic acid
MOLECULAR FORMULA: C11H9ClN2O2S
MOLECULAR WEIGHT: 268.71936
SMILES: C1=CC(=CC=C1C2=C(SC(=N2)N)CC(=O)O)Cl
Structure:
CAS RN: 49776-32-1
CAS Name: nitric acid 2-[2-[bis(2-nitrooxyethyl)amino]ethyl-(2-nitrooxyethyl)amino]ethyl ester dinitrate
OPENEYE Name: 2-[2-[bis(2-nitrooxyethyl)amino]ethyl-(2-nitrooxyethyl)amino]ethyl nitrate dinitrate
IUPAC Name: 2-[2-[bis(2-nitrooxyethyl)amino]ethyl-(2-nitrooxyethyl)amino]ethyl nitrate dinitrate
SYSTEMATIC NAME: 2-[2-[bis(2-nitrooxyethyl)amino]ethyl-(2-nitrooxyethyl)amino]ethyl nitrate dinitrate
MOLECULAR FORMULA: C10H20N8O18-2
MOLECULAR WEIGHT: 540.3086
SMILES: C(CN(CCO[N+](=O)[O-])CCO[N+](=O)[O-])N(CCO[N+](=O)[O-])CCO[N+](=O)[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]
Structure:
CAS RN: 49710-99-8
CAS Name: 1-(2-hydroxy-5-methoxyphenyl)-1-propanone
OPENEYE Name: 1-(2-hydroxy-5-methoxy-phenyl)propan-1-one
IUPAC Name: 1-(2-hydroxy-5-methoxyphenyl)propan-1-one
SYSTEMATIC NAME: 1-(5-methoxy-2-oxidanyl-phenyl)propan-1-one
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: CCC(=O)C1=C(C=CC(=C1)OC)O
Structure:
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