CAS RN: 99133-21-8
CAS Name: (2S)-2-amino-5-[[(2R)-3-[(2-bromo-3,6-dihydroxyphenyl)thio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (2S)-2-amino-5-[[(1R)-1-[(2-bromo-3,6-dihydroxy-phenyl)sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (2S)-2-amino-5-[[(2R)-3-(2-bromo-3,6-dihydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[[(2R)-3-[2-bromanyl-3,6-bis(oxidanyl)phenyl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C16H20BrN3O8S
MOLECULAR WEIGHT: 494.3143
SMILES: C1=CC(=C(C(=C1O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)Br)O
Structure:
CAS RN: 99129-29-0
CAS Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; nonanoic acid; propane-1,2,3-triol
OPENEYE Name: adipic acid; 2,2-dimethylpropane-1,3-diol; glycerol; isophthalic acid; nonanoic acid
IUPAC Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; nonanoic acid; propane-1,2,3-triol
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; nonanoic acid; propane-1,2,3-triol
MOLECULAR FORMULA: C31H54O15
MOLECULAR WEIGHT: 666.75146
SMILES: CCCCCCCCC(=O)O.CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O.C(C(CO)O)O
Structure:
CAS RN: 99129-23-4
CAS Name: tetrapotassium 2-[3-[2-[hydroxy(oxido)phosphoryl]oxyethoxy]-2,2-bis[2-[hydroxy(oxido)phosphoryl]oxyethoxymethyl]propoxy]ethyl hydrogen phosphate
OPENEYE Name: tetrapotassium 2-[3-[2-[hydroxy(oxido)phosphoryl]oxyethoxy]-2,2-bis[2-[hydroxy(oxido)phosphoryl]oxyethoxymethyl]propoxy]ethyl hydrogen phosphate
IUPAC Name: tetrapotassium 2-[3-[2-[hydroxy(oxido)phosphoryl]oxyethoxy]-2,2-bis[2-[hydroxy(oxido)phosphoryl]oxyethoxymethyl]propoxy]ethyl hydrogen phosphate
SYSTEMATIC NAME: tetrapotassium 2-[3-[2-[oxidanidyl(oxidanyl)phosphoryl]oxyethoxy]-2,2-bis[2-[oxidanidyl(oxidanyl)phosphoryl]oxyethoxymethyl]propoxy]ethyl hydrogen phosphate
MOLECULAR FORMULA: C13H28K4O20P4
MOLECULAR WEIGHT: 784.637664
SMILES: C(COP(=O)(O)[O-])OCC(COCCOP(=O)(O)[O-])(COCCOP(=O)(O)[O-])COCCOP(=O)(O)[O-].[K+].[K+].[K+].[K+]
Structure:
CAS RN: 99107-70-7
CAS Name: 2-butyl-4-methoxy-1-naphthalenol
OPENEYE Name: 2-butyl-4-methoxy-naphthalen-1-ol
IUPAC Name: 2-butyl-4-methoxynaphthalen-1-ol
SYSTEMATIC NAME: 2-butyl-4-methoxy-naphthalen-1-ol
MOLECULAR FORMULA: C15H18O2
MOLECULAR WEIGHT: 230.30222
SMILES: CCCCC1=C(C2=CC=CC=C2C(=C1)OC)O
Structure:
CAS RN: 99021-83-7
CAS Name: N-[bis(dimethylamino)phosphino]-N-methylmethanamine; gold(1+); chloride
OPENEYE Name: N-[bis(dimethylamino)phosphanyl]-N-methyl-methanamine; gold(1+); chloride
IUPAC Name: N-[bis(dimethylamino)phosphanyl]-N-methylmethanamine; gold(1+); chloride
SYSTEMATIC NAME: N-[bis(dimethylamino)phosphanyl]-N-methyl-methanamine; gold(1+); chloride
MOLECULAR FORMULA: C6H18AuClN3P
MOLECULAR WEIGHT: 395.620531
SMILES: CN(C)P(N(C)C)N(C)C.[Cl-].[Au+]
Structure:
CAS RN: 99021-82-6
CAS Name: gold(1+); triethylphosphine; nitrate; sulfide
OPENEYE Name: gold(1+); triethylphosphane; nitrate; sulfide
IUPAC Name: gold(1+); triethylphosphane; nitrate; sulfide
SYSTEMATIC NAME: gold(1+); triethylphosphane; nitrate; sulfide
MOLECULAR FORMULA: C18H45Au3NO3P3S
MOLECULAR WEIGHT: 1039.440733
SMILES: CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.[N+](=O)([O-])[O-].[S-2].[Au+].[Au+].[Au+]
Structure:
CAS RN: 98994-93-5
CAS Name: 6,7-dichloro-2-methylquinoline-5,8-dione
OPENEYE Name: 6,7-dichloro-2-methyl-quinoline-5,8-dione
IUPAC Name: 6,7-dichloro-2-methylquinoline-5,8-dione
SYSTEMATIC NAME: 6,7-bis(chloranyl)-2-methyl-quinoline-5,8-dione
MOLECULAR FORMULA: C10H5Cl2NO2
MOLECULAR WEIGHT: 242.0582
SMILES: CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)Cl)Cl
Structure:
CAS RN: 98911-24-1
CAS Name: N-[4-(2,4-dichlorophenoxy)phenyl]-N-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]acetamide
OPENEYE Name: N-[4-(2,4-dichlorophenoxy)phenyl]-N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-acetamide
IUPAC Name: N-[4-(2,4-dichlorophenoxy)phenyl]-N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide
SYSTEMATIC NAME: N-[4-[2,4-bis(chloranyl)phenoxy]phenyl]-N-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-ethanamide
MOLECULAR FORMULA: C20H21Cl2NO8
MOLECULAR WEIGHT: 474.28864
SMILES: CC(=O)N(C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Structure:
CAS RN: 98911-22-9
CAS Name: N-phenyl-N-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]acetamide
OPENEYE Name: N-phenyl-N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-acetamide
IUPAC Name: N-phenyl-N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide
SYSTEMATIC NAME: N-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-N-phenyl-ethanamide
MOLECULAR FORMULA: C14H19NO7
MOLECULAR WEIGHT: 313.30316
SMILES: CC(=O)N(C1=CC=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 98911-18-3
CAS Name: (2S,3R,4S,5S,6R)-2-anilinooxy-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5S,6R)-2-anilinooxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5S,6R)-2-anilinooxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenylazanyloxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C12H17NO6
MOLECULAR WEIGHT: 271.26648
SMILES: C1=CC=C(C=C1)NO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 98754-79-1
CAS Name: 2-(5-nitro-2-furanyl)-2,3-dihydro-1H-quinazolin-4-one
OPENEYE Name: 2-(5-nitro-2-furyl)-2,3-dihydro-1H-quinazolin-4-one
IUPAC Name: 2-(5-nitrofuran-2-yl)-2,3-dihydro-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-(5-nitrofuran-2-yl)-2,3-dihydro-1H-quinazolin-4-one
MOLECULAR FORMULA: C12H9N3O4
MOLECULAR WEIGHT: 259.21756
SMILES: C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 84057-95-4
CAS Name: (2S)-N-(2,6-dimethylphenyl)-1-propyl-2-piperidinecarboxamide
OPENEYE Name: (2S)-N-(2,6-dimethylphenyl)-1-propyl-piperidine-2-carboxamide
IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-(2,6-dimethylphenyl)-1-propyl-piperidine-2-carboxamide
MOLECULAR FORMULA: C17H26N2O
MOLECULAR WEIGHT: 274.40114
SMILES: CCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C
Structure:
CAS RN: 98717-15-8
CAS Name: (2S)-N-(2,6-dimethylphenyl)-1-propyl-2-piperidinecarboxamide hydrochloride
OPENEYE Name: (2S)-N-(2,6-dimethylphenyl)-1-propyl-piperidine-2-carboxamide hydrochloride
IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide hydrochloride
SYSTEMATIC NAME: (2S)-N-(2,6-dimethylphenyl)-1-propyl-piperidine-2-carboxamide hydrochloride
MOLECULAR FORMULA: C17H27ClN2O
MOLECULAR WEIGHT: 310.86208
SMILES: CCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C.Cl
Structure:
CAS RN: 98716-10-0
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; platinum(2+)
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; platinum(2+)
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; platinum(2+)
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; platinum(2+)
MOLECULAR FORMULA: C4H13N3Pt+2
MOLECULAR WEIGHT: 298.24412
SMILES: C(CNCCN)N.[Pt+2]
Structure:
CAS RN: 98654-22-9
CAS Name: 2-methylenehexanoic acid; 1-methylethenylbenzene; 2-methyl-2-propenoic acid 2-hydroxyethyl ester; 2-methyl-2-propenoic acid methyl ester; styrene
OPENEYE Name: 2-hydroxyethyl 2-methylprop-2-enoate; isopropenylbenzene; 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-1-en-2-ylbenzene; styrene
SYSTEMATIC NAME: ethenylbenzene; 2-hydroxyethyl 2-methylprop-2-enoate; 2-methylidenehexanoic acid; methyl 2-methylprop-2-enoate; prop-1-en-2-ylbenzene
MOLECULAR FORMULA: C35H48O7
MOLECULAR WEIGHT: 580.75142
SMILES: CCCCC(=C)C(=O)O.CC(=C)C1=CC=CC=C1.CC(=C)C(=O)OC.CC(=C)C(=O)OCCO.C=CC1=CC=CC=C1
Structure:
CAS RN: 98613-27-5
CAS Name: 7,7-dimethyloctanoic acid 2-oxiranylmethyl ester; 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; methyl 2-methylprop-2-enoate; oxiran-2-ylmethyl 7,7-dimethyloctanoate; styrene
IUPAC Name: 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; oxiran-2-ylmethyl 7,7-dimethyloctanoate; prop-2-enoic acid; styrene
SYSTEMATIC NAME: ethenylbenzene; 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; oxiran-2-ylmethyl 7,7-dimethyloctanoate; prop-2-enoic acid
MOLECULAR FORMULA: C35H54O10
MOLECULAR WEIGHT: 634.79726
SMILES: CC(=C)C(=O)OC.CC(=C)C(=O)OCCO.CC(C)(C)CCCCCC(=O)OCC1CO1.C=CC1=CC=CC=C1.C=CC(=O)O
Structure:
CAS RN: 98600-80-7
CAS Name: N-propan-2-yl-4-[(trideuteriomethylhydrazo)methyl]benzamide hydrochloride
OPENEYE Name: N-isopropyl-4-[[2-(trideuteriomethyl)hydrazino]methyl]benzamide hydrochloride
IUPAC Name: N-propan-2-yl-4-[[2-(trideuteriomethyl)hydrazinyl]methyl]benzamide hydrochloride
SYSTEMATIC NAME: N-propan-2-yl-4-[[2-(trideuteriomethyl)hydrazinyl]methyl]benzamide hydrochloride
MOLECULAR FORMULA: C12H20ClN3O
MOLECULAR WEIGHT: 260.778185
SMILES: [2H]C([2H])([2H])NNCC1=CC=C(C=C1)C(=O)NC(C)C.Cl
Structure:
CAS RN: 98600-79-4
CAS Name: 4-[dideuterio-(methylhydrazo)methyl]-N-propan-2-ylbenzamide hydrochloride
OPENEYE Name: 4-[dideuterio-(2-methylhydrazino)methyl]-N-isopropyl-benzamide hydrochloride
IUPAC Name: 4-[dideuterio-(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide hydrochloride
SYSTEMATIC NAME: 4-[dideuterio-(2-methylhydrazinyl)methyl]-N-propan-2-yl-benzamide hydrochloride
MOLECULAR FORMULA: C12H20ClN3O
MOLECULAR WEIGHT: 259.772024
SMILES: [2H]C([2H])(C1=CC=C(C=C1)C(=O)NC(C)C)NNC.Cl
Structure:
CAS RN: 98600-74-9
CAS Name: N-propan-2-yl-4-[(trideuteriomethylhydrazo)methyl]benzamide
OPENEYE Name: N-isopropyl-4-[[2-(trideuteriomethyl)hydrazino]methyl]benzamide
IUPAC Name: N-propan-2-yl-4-[[2-(trideuteriomethyl)hydrazinyl]methyl]benzamide
SYSTEMATIC NAME: N-propan-2-yl-4-[[2-(trideuteriomethyl)hydrazinyl]methyl]benzamide
MOLECULAR FORMULA: C12H19N3O
MOLECULAR WEIGHT: 224.317245
SMILES: [2H]C([2H])([2H])NNCC1=CC=C(C=C1)C(=O)NC(C)C
Structure:
CAS RN: 98600-73-8
CAS Name: 4-[dideuterio-(methylhydrazo)methyl]-N-propan-2-ylbenzamide
OPENEYE Name: 4-[dideuterio-(2-methylhydrazino)methyl]-N-isopropyl-benzamide
IUPAC Name: 4-[dideuterio-(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
SYSTEMATIC NAME: 4-[dideuterio-(2-methylhydrazinyl)methyl]-N-propan-2-yl-benzamide
MOLECULAR FORMULA: C12H19N3O
MOLECULAR WEIGHT: 223.311084
SMILES: [2H]C([2H])(C1=CC=C(C=C1)C(=O)NC(C)C)NNC
Structure:
CAS RN: 98533-60-9
CAS Name: 5-chloro-1-(4-fluorophenyl)-N-methyl-4-pyrazolecarboxamide
OPENEYE Name: 5-chloro-1-(4-fluorophenyl)-N-methyl-pyrazole-4-carboxamide
IUPAC Name: 5-chloro-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide
SYSTEMATIC NAME: 5-chloranyl-1-(4-fluorophenyl)-N-methyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C11H9ClFN3O
MOLECULAR WEIGHT: 253.660063
SMILES: CNC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)Cl
Structure:
CAS RN: 98533-16-5
CAS Name: 5-chloro-1-(3-chlorophenyl)-N-methyl-4-pyrazolecarboxamide
OPENEYE Name: 5-chloro-1-(3-chlorophenyl)-N-methyl-pyrazole-4-carboxamide
IUPAC Name: 5-chloro-1-(3-chlorophenyl)-N-methylpyrazole-4-carboxamide
SYSTEMATIC NAME: 5-chloranyl-1-(3-chlorophenyl)-N-methyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C11H9Cl2N3O
MOLECULAR WEIGHT: 270.11466
SMILES: CNC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Cl)Cl
Structure:
CAS RN: 98495-38-6
CAS Name: (3R,4aR,12bS)-9-[(4R,5R,6R)-4-[[(2S,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-5-hydroxy-6-methyl-2-oxanyl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
OPENEYE Name: (3R,4aR,12bS)-9-[(4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-tri
IUPAC Name: (3R,4aR,12bS)-9-[(4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
SYSTEMATIC NAME: (3R,4aR,12bS)-3-methyl-9-[(4R,5R,6R)-6-methyl-4-[(2S,5S,6S)-6-methyl-5-[(2S,4R,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]-3,4a,8,12b-tetrakis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
MOLECULAR FORMULA: C37H46O15
MOLECULAR WEIGHT: 730.75214
SMILES: C[C@H]1[C@H](CC[C@@H](O1)O[C@@H]2CC(O[C@@H]([C@H]2O)C)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=C[C@]6([C@@]5(C(=O)C[C@](C6)(C)O)O)O)O)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O
Structure:
CAS RN: 98477-07-7
CAS Name: 1-tert-butyl-5-cyano-N-methyl-4-pyrazolecarboxamide
OPENEYE Name: 1-tert-butyl-5-cyano-N-methyl-pyrazole-4-carboxamide
IUPAC Name: 1-tert-butyl-5-cyano-N-methylpyrazole-4-carboxamide
SYSTEMATIC NAME: 1-tert-butyl-5-cyano-N-methyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C10H14N4O
MOLECULAR WEIGHT: 206.24436
SMILES: CC(C)(C)N1C(=C(C=N1)C(=O)NC)C#N
Structure:
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