CAS RN: 12041-50-8
CAS Name: alumanylidyneborane
OPENEYE Name: alumanylidyneborane
IUPAC Name: alumanylidyneborane
SYSTEMATIC NAME: alumanylidyneborane
MOLECULAR FORMULA: AlB
MOLECULAR WEIGHT: 37.792538
SMILES: B#[Al]
Structure:
CAS RN: 60763-04-4
CAS Name: aluminum arsorate octahydrate
OPENEYE Name: aluminum arsorate octahydrate
IUPAC Name: aluminum arsorate octahydrate
SYSTEMATIC NAME: aluminum arsorate octahydrate
MOLECULAR FORMULA: AlAsH16O12
MOLECULAR WEIGHT: 310.022978
SMILES: O.O.O.O.O.O.O.O.[O-][As](=O)([O-])[O-].[Al+3]
Structure:
CAS RN: 532993-22-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H52N2O11
MOLECULAR WEIGHT: 700.81558
SMILES: CCN1C[C@@]2(CC[C@@H](C3(C1)[C@@H]2[C@@H]([C@@H]([C@]4(C[C@@H](C5C[C@@]3(C4C5OC)O)OC)O)O)OC)OC)COC(=O)C6=CC=CC=C6N7C(=O)C[C@@H](C7=O)C
Structure:
CAS RN: 55732-45-1
CAS Name: (4aR,5R)-4a,5,6,7-tetrahydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
OPENEYE Name: methyl (4aR,5R)-4a,5,6,7-tetrahydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
IUPAC Name: methyl (4aR,5R)-4a,5,6,7-tetrahydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
SYSTEMATIC NAME: methyl (4aR,5R)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-4a,5,6,7-tetrakis(oxidanyl)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
MOLECULAR FORMULA: C17H26O13
MOLECULAR WEIGHT: 438.38054
SMILES: CC1(C([C@H]([C@]2(C1C(OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O
Structure:
CAS RN: 119068-78-9
CAS Name: sodium (3R,5S,10S,12S,13R,17R)-7,12-dihydroxy-17-[(2R,5R,6S)-5-hydroxy-6-(hydroxymethyl)-7-sulfooxyheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-olate
OPENEYE Name: sodium (3R,5S,10S,12S,13R,17R)-7,12-dihydroxy-17-[(1R,4R,5S)-4-hydroxy-5-(hydroxymethyl)-1-methyl-6-sulfooxy-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-olate
IUPAC Name: sodium (3R,5S,10S,12S,13R,17R)-7,12-dihydroxy-17-[(2R,5R,6S)-5-hydroxy-6-(hydroxymethyl)-7-sulfooxyheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-olate
SYSTEMATIC NAME: sodium (3R,5S,10S,12S,13R,17R)-17-[(2R,5R,6S)-6-(hydroxymethyl)-5-oxidanyl-7-sulfooxy-heptan-2-yl]-10,13-dimethyl-7,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-olate
MOLECULAR FORMULA: C27H47NaO9S
MOLECULAR WEIGHT: 570.71145
SMILES: C[C@H](CC[C@H]([C@@H](CO)COS(=O)(=O)O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2C(C[C@H]4[C@@]3(CC[C@H](C4)[O-])C)O)O)C.[Na+]
Structure:
CAS RN: 914250-82-1
CAS Name: 3-bromo-2-chlorobenzonitrile
OPENEYE Name: 3-bromo-2-chloro-benzonitrile
IUPAC Name: 3-bromo-2-chlorobenzonitrile
SYSTEMATIC NAME: 3-bromanyl-2-chloranyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H3BrClN
MOLECULAR WEIGHT: 216.46242
SMILES: C1=CC(=C(C(=C1)Br)Cl)C#N
Structure:
CAS RN: 41094-88-6
CAS Name: 4-(butylamino)-1-ethyl-6-methyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 4-(butylamino)-1-ethyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate hydrochloride
IUPAC Name: ethyl 4-(butylamino)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 4-(butylamino)-1-ethyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate hydrochloride
MOLECULAR FORMULA: C16H25ClN4O2
MOLECULAR WEIGHT: 340.8483
SMILES: CCCCNC1=C2C=NN(C2=NC(=C1C(=O)OCC)C)CC.Cl
Structure:
CAS RN: 918311-87-2
CAS Name: 1,1,1-triphenyl-N-(3-pyridinylmethyl)methanamine
OPENEYE Name: 1,1,1-triphenyl-N-(3-pyridylmethyl)methanamine
IUPAC Name: 1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine
SYSTEMATIC NAME: 1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine
MOLECULAR FORMULA: C25H22N2
MOLECULAR WEIGHT: 350.45558
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCC4=CN=CC=C4
Structure:
CAS RN: 61849-14-7
CAS Name: (5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate
OPENEYE Name: (5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate
IUPAC Name: (5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate
SYSTEMATIC NAME: (5Z)-5-[(3aR,4R,5R,6aS)-5-oxidanyl-4-[(E,3S)-3-oxidanyloct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate
MOLECULAR FORMULA: C20H31O5-
MOLECULAR WEIGHT: 351.45714
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)[O-])/O2)O)O
Structure:
CAS RN: 60372-34-1
CAS Name: 2-[(2-chlorophenyl)thio]-1,3-benzothiazole
OPENEYE Name: 2-(2-chlorophenyl)sulfanyl-1,3-benzothiazole
IUPAC Name: 2-(2-chlorophenyl)sulfanyl-1,3-benzothiazole
SYSTEMATIC NAME: 2-(2-chlorophenyl)sulfanyl-1,3-benzothiazole
MOLECULAR FORMULA: C13H8ClNS2
MOLECULAR WEIGHT: 277.79232
SMILES: C1=CC=C2C(=C1)N=C(S2)SC3=CC=CC=C3Cl
Structure:
CAS RN: 1002304-34-8
CAS Name: 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
OPENEYE Name: 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
IUPAC Name: 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
SYSTEMATIC NAME: 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
MOLECULAR FORMULA: C22H17N5O2
MOLECULAR WEIGHT: 383.40268
SMILES: COC1=CC2=NC=CC(=C2C=C1)OCC3=NN=C4N3N=C(C=C4)C5=CC=CC=C5
Structure:
CAS RN: 12137-74-5
CAS Name: lead disulfide
OPENEYE Name: lead disulfide
IUPAC Name: lead disulfide
SYSTEMATIC NAME: lead disulfide
MOLECULAR FORMULA: PbS2-4
MOLECULAR WEIGHT: 271.33
SMILES: [S-2].[S-2].[Pb]
Structure:
CAS RN: 114-49-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H22BrNO4
MOLECULAR WEIGHT: 384.26488
SMILES: CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@@H](CO)C4=CC=CC=C4.Br
Structure:
CAS RN: 123482-23-5
CAS Name: (Z)-2-butenedioic acid; 5-chloro-2,2-dimethyl-N-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3H-benzofuran-7-carboxamide
OPENEYE Name: 5-chloro-2,2-dimethyl-N-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3H-benzofuran-7-carboxamide; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 5-chloro-2,2-dimethyl-N-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3H-1-benzofuran-7-carboxamide
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 5-chloranyl-2,2-dimethyl-N-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3H-1-benzofuran-7-carboxamide
MOLECULAR FORMULA: C23H29ClN2O6
MOLECULAR WEIGHT: 464.93916
SMILES: CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3C[C@H]4CCC(C3)N4C)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 6533-68-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H28BrNO7
MOLECULAR WEIGHT: 438.31072
SMILES: CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@@H](CO)C4=CC=CC=C4.O.O.O.Br
Structure:
CAS RN: 12789-03-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H6Cl8
MOLECULAR WEIGHT: 409.77864
SMILES: C1[C@H]2[C@@H]([C@H]([C@@H]1Cl)Cl)[C@@]3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 57-74-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H6Cl8
MOLECULAR WEIGHT: 409.77864
SMILES: C1[C@H]2[C@@H]([C@H]([C@@H]1Cl)Cl)[C@@]3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 309-00-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H8Cl6
MOLECULAR WEIGHT: 364.90992
SMILES: C1[C@@H]2C=CC1[C@H]3[C@@H]2[C@]4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 56595-17-6
CAS Name: (2R,3S)-2,3-dihydroxy-4-(trimethylammonio)butanoate
OPENEYE Name: (2R,3S)-2,3-dihydroxy-4-(trimethylammonio)butanoate
IUPAC Name: (2R,3S)-2,3-dihydroxy-4-(trimethylazaniumyl)butanoate
SYSTEMATIC NAME: (2R,3S)-2,3-bis(oxidanyl)-4-(trimethylazaniumyl)butanoate
MOLECULAR FORMULA: C7H15NO4
MOLECULAR WEIGHT: 177.1983
SMILES: C[N+](C)(C)C[C@@H]([C@H](C(=O)[O-])O)O
Structure:
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