CAS RN: 68092-46-6
CAS Name: zinc 3-methylbenzoate
OPENEYE Name: zinc 3-methylbenzoate
IUPAC Name: zinc 3-methylbenzoate
SYSTEMATIC NAME: zinc 3-methylbenzoate
MOLECULAR FORMULA: C16H14O4Zn
MOLECULAR WEIGHT: 335.68896
SMILES: CC1=CC=CC(=C1)C(=O)[O-].CC1=CC=CC(=C1)C(=O)[O-].[Zn+2]
Structure:
CAS RN: 68092-45-5
CAS Name: cadmium(2+); 3-methylbenzoate
OPENEYE Name: cadmium(2+); 3-methylbenzoate
IUPAC Name: cadmium(2+); 3-methylbenzoate
SYSTEMATIC NAME: cadmium(2+); 3-methylbenzoate
MOLECULAR FORMULA: C16H14CdO4
MOLECULAR WEIGHT: 382.69096
SMILES: CC1=CC=CC(=C1)C(=O)[O-].CC1=CC=CC(=C1)C(=O)[O-].[Cd+2]
Structure:
CAS RN: 134192-30-6
CAS Name: 4-[(9-butyl-3-carbazolyl)-[4-(N-methylanilino)phenyl]methyl]-N-methyl-N-phenylaniline
OPENEYE Name: 4-[(9-butylcarbazol-3-yl)-[4-(N-methylanilino)phenyl]methyl]-N-methyl-N-phenyl-aniline
IUPAC Name: 4-[(9-butylcarbazol-3-yl)-[4-(N-methylanilino)phenyl]methyl]-N-methyl-N-phenylaniline
SYSTEMATIC NAME: 4-[(9-butylcarbazol-3-yl)-[4-[methyl(phenyl)amino]phenyl]methyl]-N-methyl-N-phenyl-aniline
MOLECULAR FORMULA: C43H41N3
MOLECULAR WEIGHT: 599.80574
SMILES: CCCCN1C2=C(C=C(C=C2)C(C3=CC=C(C=C3)N(C)C4=CC=CC=C4)C5=CC=C(C=C5)N(C)C6=CC=CC=C6)C7=CC=CC=C71
Structure:
CAS RN: 153957-41-6
CAS Name: 4-[(9-butyl-3-carbazolyl)-[4-(N-methylanilino)phenyl]methyl]-N-methyl-N-phenylaniline
OPENEYE Name: 4-[(9-butylcarbazol-3-yl)-[4-(N-methylanilino)phenyl]methyl]-N-methyl-N-phenyl-aniline
IUPAC Name: 4-[(9-butylcarbazol-3-yl)-[4-(N-methylanilino)phenyl]methyl]-N-methyl-N-phenylaniline
SYSTEMATIC NAME: 4-[(9-butylcarbazol-3-yl)-[4-[methyl(phenyl)amino]phenyl]methyl]-N-methyl-N-phenyl-aniline
MOLECULAR FORMULA: C43H41N3
MOLECULAR WEIGHT: 599.80574
SMILES: CCCCN1C2=C(C=C(C=C2)C(C3=CC=C(C=C3)N(C)C4=CC=CC=C4)C5=CC=C(C=C5)N(C)C6=CC=CC=C6)C7=CC=CC=C71
Structure:
CAS RN: 61901-90-4
CAS Name: sodium; chromium(3+); 4-[[3-(dioxidoamino)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinylidene]-5-methyl-2-phenyl-3-pyrazolone; 5-methyl-4-(5-nitro-2-oxidophenyl)azo-2-phenyl-3-pyrazololate
OPENEYE Name: chromic; sodium; 4-[[3-(dioxidoamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazono]-5-methyl-2-phenyl-pyrazol-3-one; 5-methyl-4-(5-nitro-2-oxido-phenyl)azo-2-phenyl-pyrazol-3-olate
IUPAC Name: sodium; chromium(3+); 4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one; 5-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-2-phenylpyrazol-3-olate
SYSTEMATIC NAME: sodium; 4-[[3-[bis(oxidanidyl)amino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenyl-pyrazol-3-one; chromium(3+); 5-methyl-4-[(5-nitro-2-oxidanidyl-phenyl)diazenyl]-2-phenyl-pyrazol-3-olate
MOLECULAR FORMULA: C32H22CrN10NaO8
MOLECULAR WEIGHT: 749.56515
SMILES: CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=O)C1=NN=C2C=C(C=CC2=O)N([O-])[O-])C3=CC=CC=C3.[Na+].[Cr+3]
Structure:
CAS RN: 63589-50-4
CAS Name: sodium; chromium(3+); 4-[[3-(dioxidoamino)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinylidene]-5-methyl-2-phenyl-3-pyrazolone; 5-methyl-4-(5-nitro-2-oxidophenyl)azo-2-phenyl-3-pyrazololate
OPENEYE Name: chromic; sodium; 4-[[3-(dioxidoamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazono]-5-methyl-2-phenyl-pyrazol-3-one; 5-methyl-4-(5-nitro-2-oxido-phenyl)azo-2-phenyl-pyrazol-3-olate
IUPAC Name: sodium; chromium(3+); 4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one; 5-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-2-phenylpyrazol-3-olate
SYSTEMATIC NAME: sodium; 4-[[3-[bis(oxidanidyl)amino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenyl-pyrazol-3-one; chromium(3+); 5-methyl-4-[(5-nitro-2-oxidanidyl-phenyl)diazenyl]-2-phenyl-pyrazol-3-olate
MOLECULAR FORMULA: C32H22CrN10NaO8
MOLECULAR WEIGHT: 749.56515
SMILES: CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=O)C1=NN=C2C=C(C=CC2=O)N([O-])[O-])C3=CC=CC=C3.[Na+].[Cr+3]
Structure:
CAS RN: 124565-70-4
CAS Name: chromium(3+); 3-[(3-methyl-5-oxido-1-phenyl-4-pyrazolyl)azo]-5-nitro-2-oxidobenzenesulfonate
OPENEYE Name: chromic 3-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azo-5-nitro-2-oxido-benzenesulfonate
IUPAC Name: chromium(3+); 3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate
SYSTEMATIC NAME: chromium(3+); 3-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]-5-nitro-2-oxidanidyl-benzenesulfonate
MOLECULAR FORMULA: C16H10CrN5O7S
MOLECULAR WEIGHT: 468.341
SMILES: CC1=NN(C(=C1N=NC2=CC(=CC(=C2[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-])C3=CC=CC=C3.[Cr+3]
Structure:
CAS RN: 50821-21-1
CAS Name: chromium(3+); 3-[(3-methyl-5-oxido-1-phenyl-4-pyrazolyl)azo]-5-nitro-2-oxidobenzenesulfonate
OPENEYE Name: chromic 3-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azo-5-nitro-2-oxido-benzenesulfonate
IUPAC Name: chromium(3+); 3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate
SYSTEMATIC NAME: chromium(3+); 3-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]-5-nitro-2-oxidanidyl-benzenesulfonate
MOLECULAR FORMULA: C16H10CrN5O7S
MOLECULAR WEIGHT: 468.341
SMILES: CC1=NN(C(=C1N=NC2=CC(=CC(=C2[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-])C3=CC=CC=C3.[Cr+3]
Structure:
CAS RN: 67352-35-6
CAS Name: chromium(3+); 3-[(3-methyl-5-oxido-1-phenyl-4-pyrazolyl)azo]-5-nitro-2-oxidobenzenesulfonate
OPENEYE Name: chromic 3-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azo-5-nitro-2-oxido-benzenesulfonate
IUPAC Name: chromium(3+); 3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate
SYSTEMATIC NAME: chromium(3+); 3-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]-5-nitro-2-oxidanidyl-benzenesulfonate
MOLECULAR FORMULA: C16H10CrN5O7S
MOLECULAR WEIGHT: 468.341
SMILES: CC1=NN(C(=C1N=NC2=CC(=CC(=C2[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-])C3=CC=CC=C3.[Cr+3]
Structure:
CAS RN: 77198-99-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H23NO4
MOLECULAR WEIGHT: 341.40092
SMILES: CCC(=O)OC1=C2C3=C(CC4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1
Structure:
CAS RN: 66583-55-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H48O8
MOLECULAR WEIGHT: 560.71872
SMILES: CCCCCCCCCCCC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(CC3(O2)C(=C)C)C)C=C(C6=O)C)O)O)CO
Structure:
CAS RN: 77035-54-2
CAS Name: (4S)-3-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-2-[[oxo-[(2S)-6-oxo-2-piperidinyl]methyl]amino]propyl]-4-thiazolidinecarboxamide
OPENEYE Name: (4S)-3-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]propanoyl]thiazolidine-4-carboxamide
IUPAC Name: (4S)-3-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]propanoyl]-1,3-thiazolidine-4-carboxamide
SYSTEMATIC NAME: (4S)-3-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-6-oxidanylidenepiperidin-2-yl]carbonylamino]propanoyl]-1,3-thiazolidine-4-carboxamide
MOLECULAR FORMULA: C16H22N6O4S
MOLECULAR WEIGHT: 394.44868
SMILES: C1C[C@H](NC(=O)C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CSC[C@@H]3C(=O)N
Structure:
CAS RN: 66474-53-1
CAS Name: 2-[(2,4-dinitrophenyl)thio]pyrimidine
OPENEYE Name: 2-(2,4-dinitrophenyl)sulfanylpyrimidine
IUPAC Name: 2-(2,4-dinitrophenyl)sulfanylpyrimidine
SYSTEMATIC NAME: 2-(2,4-dinitrophenyl)sulfanylpyrimidine
MOLECULAR FORMULA: C10H6N4O4S
MOLECULAR WEIGHT: 278.24404
SMILES: C1=CN=C(N=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 68114-93-2
CAS Name: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',4',4',6',10-pentamethyl-11-spiro[2,3,4,6,6a,6b,7,8,11a,11b-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-4-ium]one iodide
OPENEYE Name: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',4',4',6',10-pentamethyl-spiro[2,3,4,6,6a,6b,7,8,11a,11b-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-4-ium]-11-one iodide
IUPAC Name: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',4',4',6',10-pentamethylspiro[2,3,4,6,6a,6b,7,8,11a,11b-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-4-ium]-11-one iodide
SYSTEMATIC NAME: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',4',4',6',10-pentamethyl-3-oxidanyl-spiro[2,3,4,6,6a,6b,7,8,11a,11b-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-4-ium]-11-one iodide
MOLECULAR FORMULA: C28H42INO3
MOLECULAR WEIGHT: 567.54245
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@H]6[C@H]5C(=O)C4=C3C)O)C)[N+](C1)(C)C.[I-]
Structure:
CAS RN: 194306-45-1
CAS Name: dialuminum dimagnesium pentachloride pentahydroxide
OPENEYE Name: dialuminum dimagnesium pentachloride pentahydroxide
IUPAC Name: dialuminum dimagnesium pentachloride pentahydroxide
SYSTEMATIC NAME: dialuminum dimagnesium pentachloride pentahydroxide
MOLECULAR FORMULA: Al2Cl5H5Mg2O5
MOLECULAR WEIGHT: 364.874776
SMILES: [OH-].[OH-].[OH-].[OH-].[OH-].[Mg+2].[Mg+2].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
Structure:
CAS RN: 65978-43-0
CAS Name: (2R)-2-[(2S,3S,4R,5R,6S)-6-[[(1R,2R,3R,6R,7R,9S)-3-[(5S)-5-[(2R,5R)-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-2-oxanyl]-2-oxolanyl]-2-oxolanyl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-[[(2S,5S,6R)-5-methoxy-6-methyl-2-oxanyl]o
OPENEYE Name: (2R)-2-[(2S,3S,4R,5R,6S)-6-[[(1R,2R,3R,6R,7R,9S)-3-[(5S)-5-[(2R,5R)-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-[(2S,5S,6R)-
IUPAC Name: (2R)-2-[(2S,3S,4R,5R,6S)-6-[[(1R,2R,3R,6R,7R,9S)-3-[(5S)-5-[(2R,5R)-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]ox
SYSTEMATIC NAME: (2R)-2-[(2S,3S,4R,5R,6S)-6-[[(1R,2R,3R,6R,7R,9S)-2,7-dimethoxy-1,3,6-trimethyl-3-[(5S)-5-[(2R,5R)-5-[(3S,5R,6S)-3,5,6-trimethyl-6-oxidanyl-oxan-2-yl]oxolan-2-yl]oxolan-2-yl]-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-[(2S,5S,6R)-5-methoxy-6-methyl-oxan-2-yl
MOLECULAR FORMULA: C47H80O15
MOLECULAR WEIGHT: 885.1291
SMILES: C[C@H]1C[C@H]([C@@](OC1[C@H]2CC[C@@H](O2)[C@@H]3CCC(O3)[C@@]4([C@@H]([C@H](C5(O4)[C@@H]([C@@H](C[C@H](O5)C[C@H]6[C@H]([C@H]([C@H]([C@H](O6)[C@@H](C)C(=O)OO)C)O[C@@H]7CC[C@@H]([C@H](O7)C)OC)C)OC)C)C)OC)C)(C)O)C
Structure:
CAS RN: 65938-98-9
CAS Name: benzo[h]quinoline-5,6-dione
OPENEYE Name: benzo[h]quinoline-5,6-dione
IUPAC Name: benzo[h]quinoline-5,6-dione
SYSTEMATIC NAME: benzo[h]quinoline-5,6-dione
MOLECULAR FORMULA: C13H7NO2
MOLECULAR WEIGHT: 209.20018
SMILES: C1=CC=C2C(=C1)C3=C(C=CC=N3)C(=O)C2=O
Structure:
CAS RN: 65906-75-4
CAS Name: 4-butoxy-5-fluoro-2,6-dioxo-1,3-diazinane-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-butoxy-5-fluoro-2,6-dioxo-hexahydropyrimidine-5-carboxylate
IUPAC Name: ethyl 4-butoxy-5-fluoro-2,6-dioxo-1,3-diazinane-5-carboxylate
SYSTEMATIC NAME: ethyl 4-butoxy-5-fluoranyl-2,6-bis(oxidanylidene)-1,3-diazinane-5-carboxylate
MOLECULAR FORMULA: C11H17FN2O5
MOLECULAR WEIGHT: 276.261483
SMILES: CCCCOC1C(C(=O)NC(=O)N1)(C(=O)OCC)F
Structure:
CAS RN: 65576-45-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H16ClNO
MOLECULAR WEIGHT: 285.76804
SMILES: CN1C[C@H]2[C@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24
Structure:
CAS RN: 135882-95-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H16ClNO
MOLECULAR WEIGHT: 285.76804
SMILES: CN1C[C@H]2[C@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24
Structure:
CAS RN: 65505-13-7
CAS Name: methyl sulfate; trimethyl-[(1-oxoprop-2-enylamino)methyl]ammonium
OPENEYE Name: methyl sulfate; trimethyl-[(prop-2-enoylamino)methyl]ammonium
IUPAC Name: methyl sulfate; trimethyl-[(prop-2-enoylamino)methyl]azanium
SYSTEMATIC NAME: methyl sulfate; trimethyl-[(prop-2-enoylamino)methyl]azanium
MOLECULAR FORMULA: C8H18N2O5S
MOLECULAR WEIGHT: 254.30392
SMILES: C[N+](C)(C)CNC(=O)C=C.COS(=O)(=O)[O-]
Structure:
CAS RN: 7357-50-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H29ClO5
MOLECULAR WEIGHT: 432.93706
SMILES: CC(=O)[C@]1(C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)O)OC(=O)C
Structure:
CAS RN: 7355-27-3
CAS Name: 2-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3-pyridinecarbonitrile
OPENEYE Name: 2-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]pyridine-3-carbonitrile
IUPAC Name: 2-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]pyridine-3-carbonitrile
MOLECULAR FORMULA: C13H19N3O2
MOLECULAR WEIGHT: 249.30886
SMILES: CC(C)(C)NC[C@@H](COC1=C(C=CC=N1)C#N)O
Structure:
CAS RN: 12768-56-8
CAS Name: chromium(3+); tetradecanoate; pentahydroxide
OPENEYE Name: dichromic tetradecanoate pentahydroxide
IUPAC Name: chromium(3+); tetradecanoate; pentahydroxide
SYSTEMATIC NAME: chromium(3+); tetradecanoate; pentahydroxide
MOLECULAR FORMULA: C14H32Cr2O7
MOLECULAR WEIGHT: 416.39188
SMILES: CCCCCCCCCCCCCC(=O)[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[Cr+3].[Cr+3]
Structure:
CAS RN: 110553-26-9
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 6-methyl-2-[4-[(2,4,6-trioxo-1,3-diazinan-5-yl)azo]phenyl]-1,3-benzothiazole-7-sulfonic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 6-methyl-2-[4-(2,4,6-trioxohexahydropyrimidin-5-yl)azophenyl]-1,3-benzothiazole-7-sulfonic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 6-methyl-2-[4-[(2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; 6-methyl-2-[4-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid
MOLECULAR FORMULA: C24H28N6O9S2
MOLECULAR WEIGHT: 608.64392
SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=O)NC(=O)NC4=O)S(=O)(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 64806-05-9
CAS Name: (2S)-1-[(2S)-3-[[3-[(2S)-2-carboxy-1-pyrrolidinyl]-2-methyl-3-oxopropyl]disulfanyl]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-3-[[3-[(2S)-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxo-propyl]disulfanyl]-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-3-[[3-[(2S)-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxopropyl]disulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-3-[[3-[(2S)-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl]disulfanyl]-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C18H28N2O6S2
MOLECULAR WEIGHT: 432.55472
SMILES: C[C@H](CSSCC(C)C(=O)N1CCC[C@H]1C(=O)O)C(=O)N2CCC[C@H]2C(=O)O
Structure:
CAS RN: 64763-82-2
CAS Name: 4,10,16,22-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-6,12,18,24-tetra(propan-2-yl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
OPENEYE Name: 3,9,15,21-tetraisobutyl-6,12,18,24-tetraisopropyl-4,10,16,22-tetramethyl-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
IUPAC Name: 4,10,16,22-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-6,12,18,24-tetra(propan-2-yl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
SYSTEMATIC NAME: 4,10,16,22-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-6,12,18,24-tetra(propan-2-yl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
MOLECULAR FORMULA: C48H84N4O12
MOLECULAR WEIGHT: 909.20016
SMILES: CC(C)CC1C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N1C)C(C)C)CC(C)C)C)C(C)C)CC(C)C)C)C(C)C)CC(C)C)C)C(C)C
Structure:
CAS RN: 106102-84-5
CAS Name: boric acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: boric acid; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: boric acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: boric acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C4H14BNO5
MOLECULAR WEIGHT: 166.96866
SMILES: B(O)(O)O.C(CO)NCCO
Structure:
CAS RN: 64612-24-4
CAS Name: boric acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: boric acid; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: boric acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: boric acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C4H14BNO5
MOLECULAR WEIGHT: 166.96866
SMILES: B(O)(O)O.C(CO)NCCO
Structure:
CAS RN: 67952-33-4
CAS Name: boric acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: boric acid; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: boric acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: boric acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C4H14BNO5
MOLECULAR WEIGHT: 166.96866
SMILES: B(O)(O)O.C(CO)NCCO
Structure:
CAS RN: 68425-66-1
CAS Name: boric acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: boric acid; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: boric acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: boric acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C4H14BNO5
MOLECULAR WEIGHT: 166.96866
SMILES: B(O)(O)O.C(CO)NCCO
Structure:
CAS RN: 68511-00-2
CAS Name: boric acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: boric acid; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: boric acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: boric acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C4H14BNO5
MOLECULAR WEIGHT: 166.96866
SMILES: B(O)(O)O.C(CO)NCCO
Structure:
CAS RN: 51717-00-1
CAS Name: diethyl-[7-(2-methylanilino)-3-phenoxazinylidene]ammonium; zinc; tetrachloride
OPENEYE Name: diethyl-[7-(2-methylanilino)phenoxazin-3-ylidene]ammonium; zinc; tetrachloride
IUPAC Name: diethyl-[7-(2-methylanilino)phenoxazin-3-ylidene]azanium; zinc; tetrachloride
SYSTEMATIC NAME: diethyl-[7-[(2-methylphenyl)amino]phenoxazin-3-ylidene]azanium; zinc; tetrachloride
MOLECULAR FORMULA: C46H48Cl4N6O2Zn-2
MOLECULAR WEIGHT: 924.13332
SMILES: CC[N+](=C1C=CC2=NC3=C(C=C(C=C3)NC4=CC=CC=C4C)OC2=C1)CC.CC[N+](=C1C=CC2=NC3=C(C=C(C=C3)NC4=CC=CC=C4C)OC2=C1)CC.[Cl-].[Cl-].[Cl-].[Cl-].[Zn]
Structure:
CAS RN: 52171-28-5
CAS Name: diethyl-[7-(2-methylanilino)-3-phenoxazinylidene]ammonium; zinc; tetrachloride
OPENEYE Name: diethyl-[7-(2-methylanilino)phenoxazin-3-ylidene]ammonium; zinc; tetrachloride
IUPAC Name: diethyl-[7-(2-methylanilino)phenoxazin-3-ylidene]azanium; zinc; tetrachloride
SYSTEMATIC NAME: diethyl-[7-[(2-methylphenyl)amino]phenoxazin-3-ylidene]azanium; zinc; tetrachloride
MOLECULAR FORMULA: C46H48Cl4N6O2Zn-2
MOLECULAR WEIGHT: 924.13332
SMILES: CC[N+](=C1C=CC2=NC3=C(C=C(C=C3)NC4=CC=CC=C4C)OC2=C1)CC.CC[N+](=C1C=CC2=NC3=C(C=C(C=C3)NC4=CC=CC=C4C)OC2=C1)CC.[Cl-].[Cl-].[Cl-].[Cl-].[Zn]
Structure:
CAS RN: 57206-82-3
CAS Name: sodium; chromium(3+); 1-[[4-(dioxidoamino)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinylidene]-2-naphthalenone; 1-(4-nitro-2-oxidophenyl)azo-2-naphthalenolate
OPENEYE Name: chromic; sodium; 1-[[4-(dioxidoamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazono]naphthalen-2-one; 1-(4-nitro-2-oxido-phenyl)azonaphthalen-2-olate
IUPAC Name: sodium; chromium(3+); 1-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one; 1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
SYSTEMATIC NAME: sodium; 1-[[4-[bis(oxidanidyl)amino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one; chromium(3+); 1-[(4-nitro-2-oxidanidyl-phenyl)diazenyl]naphthalen-2-olate
MOLECULAR FORMULA: C32H18CrN6NaO8
MOLECULAR WEIGHT: 689.50659
SMILES: C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C=CC(=CC3=O)N([O-])[O-].[Na+].[Cr+3]
Structure:
CAS RN: 64560-69-6
CAS Name: sodium; chromium(3+); 4-[[4-(dioxidoamino)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinylidene]-5-methyl-2-phenyl-3-pyrazolone; 5-methyl-4-(4-nitro-2-oxidophenyl)azo-2-phenyl-3-pyrazololate
OPENEYE Name: chromic; sodium; 4-[[4-(dioxidoamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazono]-5-methyl-2-phenyl-pyrazol-3-one; 5-methyl-4-(4-nitro-2-oxido-phenyl)azo-2-phenyl-pyrazol-3-olate
IUPAC Name: sodium; chromium(3+); 4-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one; 5-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-2-phenylpyrazol-3-olate
SYSTEMATIC NAME: sodium; 4-[[4-[bis(oxidanidyl)amino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenyl-pyrazol-3-one; chromium(3+); 5-methyl-4-[(4-nitro-2-oxidanidyl-phenyl)diazenyl]-2-phenyl-pyrazol-3-olate
MOLECULAR FORMULA: C32H22CrN10NaO8
MOLECULAR WEIGHT: 749.56515
SMILES: CC1=NN(C(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=O)C1=NN=C2C=CC(=CC2=O)N([O-])[O-])C3=CC=CC=C3.[Na+].[Cr+3]
Structure:
CAS RN: 70161-21-6
CAS Name: sodium; chromium(3+); 4-[[4-(dioxidoamino)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinylidene]-5-methyl-2-phenyl-3-pyrazolone; 5-methyl-4-(4-nitro-2-oxidophenyl)azo-2-phenyl-3-pyrazololate
OPENEYE Name: chromic; sodium; 4-[[4-(dioxidoamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazono]-5-methyl-2-phenyl-pyrazol-3-one; 5-methyl-4-(4-nitro-2-oxido-phenyl)azo-2-phenyl-pyrazol-3-olate
IUPAC Name: sodium; chromium(3+); 4-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one; 5-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-2-phenylpyrazol-3-olate
SYSTEMATIC NAME: sodium; 4-[[4-[bis(oxidanidyl)amino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenyl-pyrazol-3-one; chromium(3+); 5-methyl-4-[(4-nitro-2-oxidanidyl-phenyl)diazenyl]-2-phenyl-pyrazol-3-olate
MOLECULAR FORMULA: C32H22CrN10NaO8
MOLECULAR WEIGHT: 749.56515
SMILES: CC1=NN(C(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=O)C1=NN=C2C=CC(=CC2=O)N([O-])[O-])C3=CC=CC=C3.[Na+].[Cr+3]
Structure:
CAS RN: 73167-83-6
CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(5R)-8-azabicyclo[3.2.1]octan-4-yl] ester
OPENEYE Name: [(5R)-8-azabicyclo[3.2.1]octan-4-yl] 2-hydroxy-2,2-diphenyl-acetate
IUPAC Name: [(5R)-8-azabicyclo[3.2.1]octan-4-yl] 2-hydroxy-2,2-diphenylacetate
SYSTEMATIC NAME: [(5R)-8-azabicyclo[3.2.1]octan-4-yl] 2-oxidanyl-2,2-diphenyl-ethanoate
MOLECULAR FORMULA: C21H23NO3
MOLECULAR WEIGHT: 337.41222
SMILES: C1CC2CCC([C@@H]1N2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
Structure:
CAS RN: 73166-61-7
CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(1S,4R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] ester
OPENEYE Name: [(1S,4R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] 2-hydroxy-2,2-diphenyl-acetate
IUPAC Name: [(1S,4R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] 2-hydroxy-2,2-diphenylacetate
SYSTEMATIC NAME: [(1S,4R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] 2-oxidanyl-2,2-diphenyl-ethanoate
MOLECULAR FORMULA: C22H25NO3
MOLECULAR WEIGHT: 351.4388
SMILES: CN1[C@H]2CC[C@@H]1[C@@H](CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
Structure:
CAS RN: 105054-56-6
CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(hydroxymethyl)phenoxy]-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[4-(hydroxymethyl)phenoxy]tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C21H26O11
MOLECULAR WEIGHT: 454.42454
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CO)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 73097-14-0
CAS Name: (1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol
OPENEYE Name: (1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol
IUPAC Name: (1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol
SYSTEMATIC NAME: (1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol
MOLECULAR FORMULA: C9H12O4
MOLECULAR WEIGHT: 184.18918
SMILES: C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O
Structure:
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