CAS RN: 55750-00-0
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]am
OPENEYE Name: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(1
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-me
MOLECULAR FORMULA: C47H71N15O11S
MOLECULAR WEIGHT: 1054.22554
SMILES: C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)N
Structure:
CAS RN: 55366-56-8
CAS Name: (2S,3S,4S,5R,6S)-6-[[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-1-benzopyran-8-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-chromen-8-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-4-oxidanylidene-chromen-8-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C21H18O14
MOLECULAR WEIGHT: 494.35922
SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O
Structure:
CAS RN: 54784-44-0
CAS Name: (2S)-N-[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyp
OPENEYE Name: (2S)-N-[(1R)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]ami
IUPAC Name: (2S)-N-[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1
SYSTEMATIC NAME: (2S)-N-[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxida
MOLECULAR FORMULA: C59H79N15O13
MOLECULAR WEIGHT: 1206.35126
SMILES: C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)[C@@H]6CCC(=O)N6
Structure:
CAS RN: 54328-09-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H18O9
MOLECULAR WEIGHT: 522.45852
SMILES: CC1=CC(=C2C(=C1)C3=C4C5=CC(=CC(=C5C(=O)C6=C(C=C(C(=C46)C7=C3C(=C(C=C7O)O)C2=O)O)O)O)CO)O
Structure:
CAS RN: 54266-45-4
CAS Name: N-methylcarbamic acid [(Z)-(2-methyl-1,3-oxathiolan-4-ylidene)amino] ester
OPENEYE Name: [(Z)-(2-methyl-1,3-oxathiolan-4-ylidene)amino] N-methylcarbamate
IUPAC Name: [(Z)-(2-methyl-1,3-oxathiolan-4-ylidene)amino] N-methylcarbamate
SYSTEMATIC NAME: [(Z)-(2-methyl-1,3-oxathiolan-4-ylidene)amino] N-methylcarbamate
MOLECULAR FORMULA: C6H10N2O3S
MOLECULAR WEIGHT: 190.2202
SMILES: CC1OC/C(=N/OC(=O)NC)/S1
Structure:
CAS RN: 54266-57-8
CAS Name: N-methylcarbamic acid [(E)-(2-methyl-1,3-oxathiolan-4-ylidene)amino] ester
OPENEYE Name: [(E)-(2-methyl-1,3-oxathiolan-4-ylidene)amino] N-methylcarbamate
IUPAC Name: [(E)-(2-methyl-1,3-oxathiolan-4-ylidene)amino] N-methylcarbamate
SYSTEMATIC NAME: [(E)-(2-methyl-1,3-oxathiolan-4-ylidene)amino] N-methylcarbamate
MOLECULAR FORMULA: C6H10N2O3S
MOLECULAR WEIGHT: 190.2202
SMILES: CC1OC/C(=N\OC(=O)NC)/S1
Structure:
CAS RN: 52801-23-7
CAS Name: 3-[[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-1-benzopyran-4-one
OPENEYE Name: 3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-met
IUPAC Name: 3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one
SYSTEMATIC NAME: 7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-methyl-5-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C35H44O20
MOLECULAR WEIGHT: 784.71186
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](O[C@H]([C@@H]([C@@H]2O)O)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)OC4=C(OC5=CC(=CC(=C5C4=O)O)OC)C6=CC(=C(C=C6)O)OC)O)O)O)C)O)O)O
Structure:
CAS RN: 52187-80-1
CAS Name: 5-hydroxy-2-[4-hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5-hydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-phenyl]-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C27H30O16
MOLECULAR WEIGHT: 610.5175
SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
Structure:
CAS RN: 51984-35-1
CAS Name: [[(Z)-(4-methyl-3-oxo-2-pyridinylidene)methyl]amino]thiourea
OPENEYE Name: [[(Z)-(4-methyl-3-oxo-2-pyridylidene)methyl]amino]thiourea
IUPAC Name: [[(Z)-(4-methyl-3-oxopyridin-2-ylidene)methyl]amino]thiourea
SYSTEMATIC NAME: 1-[[(Z)-(4-methyl-3-oxidanylidene-pyridin-2-ylidene)methyl]amino]thiourea
MOLECULAR FORMULA: C8H10N4OS
MOLECULAR WEIGHT: 210.2562
SMILES: CC1=CC=N/C(=C\NNC(=S)N)/C1=O
Structure:
CAS RN: 51858-17-4
CAS Name: dipotassium 4-[(1E,3E,5Z)-5-[3-carboxy-5-oxo-1-(4-sulfophenyl)-4-pyrazolylidene]penta-1,3-dienyl]-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazole-5-carboxylate
OPENEYE Name: dipotassium 4-[(1E,3E,5Z)-5-[3-carboxy-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazole-5-carboxylate
IUPAC Name: dipotassium 4-[(1E,3E,5Z)-5-[3-carboxy-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazole-5-carboxylate
SYSTEMATIC NAME: dipotassium 4-[(1E,3E,5Z)-5-[3-carboxy-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxidanylidene-2-(4-sulfonatophenyl)-1H-pyrazole-5-carboxylate
MOLECULAR FORMULA: C25H16K2N4O12S2
MOLECULAR WEIGHT: 706.74074
SMILES: C1=CC(=CC=C1N2C(=O)C(=C(N2)C(=O)[O-])/C=C/C=C/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C(=O)O)S(=O)(=O)[O-].[K+].[K+]
Structure:
CAS RN: 51529-11-4
CAS Name: (8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,13R,14S)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C29H48O
MOLECULAR WEIGHT: 412.69082
SMILES: CC[C@H](CC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)C4)C)C)C(C)C
Structure:
CAS RN: 51449-18-4
CAS Name: (Z)-1-[4-(diethylamino)phenyl]-2-phenylethene-1,2-dithiolate; nickel
OPENEYE Name: (Z)-1-[4-(diethylamino)phenyl]-2-phenyl-ethene-1,2-dithiolate; nickel
IUPAC Name: (Z)-1-[4-(diethylamino)phenyl]-2-phenylethene-1,2-dithiolate; nickel
SYSTEMATIC NAME: (Z)-1-[4-(diethylamino)phenyl]-2-phenyl-ethene-1,2-dithiolate; nickel
MOLECULAR FORMULA: C36H38N2NiS4-4
MOLECULAR WEIGHT: 685.65372
SMILES: CCN(C1=CC=C(C=C1)/C(=C(/[S-])\C2=CC=CC=C2)/[S-])CC.CCN(C1=CC=C(C=C1)/C(=C(/[S-])\C2=CC=CC=C2)/[S-])CC.[Ni]
Structure:
CAS RN: 73164-97-3
CAS Name: (Z)-1-[4-(diethylamino)phenyl]-2-phenylethene-1,2-dithiolate; nickel
OPENEYE Name: (Z)-1-[4-(diethylamino)phenyl]-2-phenyl-ethene-1,2-dithiolate; nickel
IUPAC Name: (Z)-1-[4-(diethylamino)phenyl]-2-phenylethene-1,2-dithiolate; nickel
SYSTEMATIC NAME: (Z)-1-[4-(diethylamino)phenyl]-2-phenyl-ethene-1,2-dithiolate; nickel
MOLECULAR FORMULA: C36H38N2NiS4-4
MOLECULAR WEIGHT: 685.65372
SMILES: CCN(C1=CC=C(C=C1)/C(=C(/[S-])\C2=CC=CC=C2)/[S-])CC.CCN(C1=CC=C(C=C1)/C(=C(/[S-])\C2=CC=CC=C2)/[S-])CC.[Ni]
Structure:
CAS RN: 51033-46-6
CAS Name: 9,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-6-[(4-hydroxy-3-methoxyphenyl)methyl]-1,3-dimethoxy-2-benzo[a]xanthenone
OPENEYE Name: 9,10-dihydroxy-5-(4-hydroxy-2-methoxy-phenyl)-6-[(4-hydroxy-3-methoxy-phenyl)methyl]-1,3-dimethoxy-benzo[a]xanthen-2-one
IUPAC Name: 9,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-6-[(4-hydroxy-3-methoxyphenyl)methyl]-1,3-dimethoxybenzo[a]xanthen-2-one
SYSTEMATIC NAME: 1,3-dimethoxy-5-(2-methoxy-4-oxidanyl-phenyl)-6-[(3-methoxy-4-oxidanyl-phenyl)methyl]-9,10-bis(oxidanyl)benzo[a]xanthen-2-one
MOLECULAR FORMULA: C34H28O10
MOLECULAR WEIGHT: 596.58012
SMILES: COC1=CC2=C(C(=C3C(=CC4=CC(=C(C=C4O3)O)O)C2=C(C1=O)OC)CC5=CC(=C(C=C5)O)OC)C6=C(C=C(C=C6)O)OC
Structure:
CAS RN: 50792-65-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H14FeN4
MOLECULAR WEIGHT: 342.17556
SMILES: C1=CC=C2N=C/C=C\[N-]C3=CC=CC=C3N=C/C=C\[N-]C2=C1.[Fe+2]
Structure:
CAS RN: 50696-27-0
CAS Name: 2-[[(E)-(5-oxo-2-pyridinylidene)methyl]amino]guanidine
OPENEYE Name: 2-[[(E)-(5-oxo-2-pyridylidene)methyl]amino]guanidine
IUPAC Name: 2-[[(E)-(5-oxopyridin-2-ylidene)methyl]amino]guanidine
SYSTEMATIC NAME: 2-[[(E)-(5-oxidanylidenepyridin-2-ylidene)methyl]amino]guanidine
MOLECULAR FORMULA: C7H9N5O
MOLECULAR WEIGHT: 179.17926
SMILES: C1=C/C(=C\NN=C(N)N)/N=CC1=O
Structure:
CAS RN: 50610-28-1
CAS Name: 2-(4-amino-2-chloro-5-nitroanilino)ethanol
OPENEYE Name: 2-(4-amino-2-chloro-5-nitro-anilino)ethanol
IUPAC Name: 2-(4-amino-2-chloro-5-nitroanilino)ethanol
SYSTEMATIC NAME: 2-[(4-azanyl-2-chloranyl-5-nitro-phenyl)amino]ethanol
MOLECULAR FORMULA: C8H10ClN3O3
MOLECULAR WEIGHT: 231.6363
SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])N)Cl)NCCO
Structure:
CAS RN: 46933-76-0
CAS Name: ammonia; cobalt(3+); (Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]-2-penten-2-olate
OPENEYE Name: cobaltic; ammonia; (Z)-4-[2-[[(Z)-1-methyl-3-oxido-but-2-enylidene]amino]ethylimino]pent-2-en-2-olate
IUPAC Name: azane; cobalt(3+); (Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate
SYSTEMATIC NAME: azane; cobalt(3+); (Z)-4-[2-[[(Z)-4-oxidanidylpent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate
MOLECULAR FORMULA: C12H24CoN4O2+
MOLECULAR WEIGHT: 315.27776
SMILES: C/C(=C/C(=NCCN=C(/C=C(\[O-])/C)C)C)/[O-].N.N.[Co+3]
Structure:
CAS RN: 46506-88-1
CAS Name: sodium 2-hydroxy-3,5-dinitrobenzoate
OPENEYE Name: sodium 2-hydroxy-3,5-dinitro-benzoate
IUPAC Name: sodium 2-hydroxy-3,5-dinitrobenzoate
SYSTEMATIC NAME: sodium 3,5-dinitro-2-oxidanyl-benzoate
MOLECULAR FORMULA: C7H3N2NaO7
MOLECULAR WEIGHT: 250.09769
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)[O-])[N+](=O)[O-].[Na+]
Structure:
CAS RN: 43184-66-3
CAS Name: (Z)-4-oxo-2-penten-2-olate; 2-propanolate; titanium(4+)
OPENEYE Name: (Z)-4-oxopent-2-en-2-olate; propan-2-olate; titanium(4+)
IUPAC Name: (Z)-4-oxopent-2-en-2-olate; propan-2-olate; titanium(4+)
SYSTEMATIC NAME: (Z)-4-oxidanylidenepent-2-en-2-olate; propan-2-olate; titanium(4+)
MOLECULAR FORMULA: C18H28O7Ti
MOLECULAR WEIGHT: 404.27772
SMILES: CC([O-])C.C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ti+4]
Structure:
CAS RN: 42165-79-7
CAS Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-methyl-1,3-benzothiazole iodide
OPENEYE Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-5-methyl-1,3-benzothiazole iodide
IUPAC Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-methyl-1,3-benzothiazole iodide
SYSTEMATIC NAME: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-5-methyl-1,3-benzothiazole iodide
MOLECULAR FORMULA: C24H27IN2S2
MOLECULAR WEIGHT: 534.51905
SMILES: CCN\1C2=C(C=CC(=C2)C)S/C1=C\C(=C\C3=[N+](C4=C(S3)C=CC(=C4)C)CC)\C.[I-]
Structure:
CAS RN: 51895-83-1
CAS Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-methyl-1,3-benzothiazole iodide
OPENEYE Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-5-methyl-1,3-benzothiazole iodide
IUPAC Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-methyl-1,3-benzothiazole iodide
SYSTEMATIC NAME: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-5-methyl-1,3-benzothiazole iodide
MOLECULAR FORMULA: C24H27IN2S2
MOLECULAR WEIGHT: 534.51905
SMILES: CCN\1C2=C(C=CC(=C2)C)S/C1=C\C(=C\C3=[N+](C4=C(S3)C=CC(=C4)C)CC)\C.[I-]
Structure:
CAS RN: 41089-03-6
CAS Name: carbamic acid [(2R,3S,4S,5R,6R)-2-[[(2R,3S,4S,5S,6S)-2-[(1R)-2-[[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-oxomethyl]amino]-3-[[(2R,3S,4S)-3-hydroxy-5-[[(2S,3R)-3-hydroxy-1-[2-[4-[4-[[3-(methylth
OPENEYE Name: [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[[(1R,2S,3S)-2-hydroxy-4-[[(1S,2R)-2-hydroxy-1-[2-[4-[4-(3-methylsulfanylpropylcarbamo
IUPAC Name: [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-3-hydroxy-5-[[(2S,3R)-3-hydroxy-1-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)
SYSTEMATIC NAME: [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R)-2-[[6-azanyl-2-[(1S)-3-azanyl-1-[[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propyl]-5-methyl-pyrimidin-4-yl]carbonylamino]-1-(1H-imidazol-5-yl)-3-[[(2R,3S,4S)-4-methyl-5-[[(2S,3R)-1-[2
MOLECULAR FORMULA: C54H81N17O21S3
MOLECULAR WEIGHT: 1400.51724
SMILES: CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)NC([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NC
Structure:
CAS RN: 132937-88-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H29Cl2N5O5
MOLECULAR WEIGHT: 502.39146
SMILES: CNCCNC1=C2C3=C(C=C1)N(NC3=C4C(=O)C=CC(=O)C4=C2O)CCNCCO.O.Cl.Cl
Structure:
CAS RN: 15599-51-6
CAS Name: 2-[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxymethyl]amino]-2-[4-(2-hydroxyethyl)-1-piperazinyl]acetic acid
OPENEYE Name: 2-[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxy-methyl]amino]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
IUPAC Name: 2-[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxymethyl]amino]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
SYSTEMATIC NAME: 2-[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-1,3,12-tris(oxidanylidene)-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-oxidanyl-methyl]amino]-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanoic acid
MOLECULAR FORMULA: C30H38N4O11
MOLECULAR WEIGHT: 630.64292
SMILES: C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)/C(=C(\NC(C(=O)O)N4CCN(CC4)CCO)/O)/C(=O)[C@]3(C(=O)C2=C(C5=C1C=CC=C5O)O)O)N(C)C)O
Structure:
CAS RN: 39951-80-9
CAS Name: 2-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-[(1,3-dioxo-2-isoindolyl)methyl]-4-oxo-1-cyclohexa-1,5-dienyl]methyl]isoindole-1,3-dione
OPENEYE Name: 2-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-[(1,3-dioxoisoindolin-2-yl)methyl]-4-oxo-cyclohexa-1,5-dien-1-yl]methyl]isoindoline-1,3-dione
IUPAC Name: 2-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-oxocyclohexa-1,5-dien-1-yl]methyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]methyl]isoindole-1,3-dione
MOLECULAR FORMULA: C31H19N3O5S
MOLECULAR WEIGHT: 545.56466
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=C/C(=C/4\NC5=CC=CC=C5S4)/C(=O)C(=C3)CN6C(=O)C7=CC=CC=C7C6=O
Structure:
CAS RN: 39340-46-0
CAS Name: 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid [(2R,3R,4R,6S)-6-[[(2R,2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[[(2S,3R,4R,5S,6R)-2-[[(2R,3S,4S,5S,6S)-6-[[(2R,3aS,3'aR,6S,7R,7'R,7aR,7'aR)-7'-hydroxy-7-methoxy-7'-[(1S)-1-methoxyethyl]-6-spiro[4,6,7,7a-tetrahydr
OPENEYE Name: [(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,7R,7'R,7aR,7'aR)-7'-hydroxy-7-methoxy-7'-[(1S)-1-methoxyethyl]spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dio
IUPAC Name: [(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,7R,7'R,7aR,7'aR)-7'-hydroxy-7-methoxy-7'-[(1S)-1-methoxyethyl]spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dio
SYSTEMATIC NAME: [(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,7R,7'R,7aR,7'aR)-7-methoxy-7'-[(1S)-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]d
MOLECULAR FORMULA: C66H99Cl2NO35
MOLECULAR WEIGHT: 1537.38396
SMILES: C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@]3(C[C@H]2O)O[C@@H]4[C@H](O[C@H](C[C@]4(O3)C)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@@H]5OC)C)O[C@@H]6[C@H](O[C@H]([C@H]([C@H]6O)OC)O[C@H]7[C@@H]([C@H]8[C@H](CO7)O[C@@]9(O8)[C@H]1[C@H]([C@@](CO9)([C@H](C)OC)O)OCO1
Structure:
CAS RN: 39003-36-6
CAS Name: 1,8-dihydroxy-2,5-dinitroanthracene-9,10-dione
OPENEYE Name: 1,8-dihydroxy-2,5-dinitro-anthracene-9,10-dione
IUPAC Name: 1,8-dihydroxy-2,5-dinitroanthracene-9,10-dione
SYSTEMATIC NAME: 2,5-dinitro-1,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H6N2O8
MOLECULAR WEIGHT: 330.20604
SMILES: C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-])O)[N+](=O)[O-]
Structure:
CAS RN: 14263-98-0
CAS Name: (Z)-1,2-bis(4-methoxyphenyl)ethene-1,2-dithiolate; nickel
OPENEYE Name: (Z)-1,2-bis(4-methoxyphenyl)ethene-1,2-dithiolate; nickel
IUPAC Name: (Z)-1,2-bis(4-methoxyphenyl)ethene-1,2-dithiolate; nickel
SYSTEMATIC NAME: (Z)-1,2-bis(4-methoxyphenyl)ethene-1,2-dithiolate; nickel
MOLECULAR FORMULA: C32H28NiO4S4-4
MOLECULAR WEIGHT: 663.51572
SMILES: COC1=CC=C(C=C1)/C(=C(/[S-])\C2=CC=C(C=C2)OC)/[S-].COC1=CC=C(C=C1)/C(=C(/[S-])\C2=CC=C(C=C2)OC)/[S-].[Ni]
Structure:
CAS RN: 38951-97-2
CAS Name: (Z)-1,2-bis(4-methoxyphenyl)ethene-1,2-dithiolate; nickel
OPENEYE Name: (Z)-1,2-bis(4-methoxyphenyl)ethene-1,2-dithiolate; nickel
IUPAC Name: (Z)-1,2-bis(4-methoxyphenyl)ethene-1,2-dithiolate; nickel
SYSTEMATIC NAME: (Z)-1,2-bis(4-methoxyphenyl)ethene-1,2-dithiolate; nickel
MOLECULAR FORMULA: C32H28NiO4S4-4
MOLECULAR WEIGHT: 663.51572
SMILES: COC1=CC=C(C=C1)/C(=C(/[S-])\C2=CC=C(C=C2)OC)/[S-].COC1=CC=C(C=C1)/C(=C(/[S-])\C2=CC=C(C=C2)OC)/[S-].[Ni]
Structure:
CAS RN: 14263-96-8
CAS Name: (Z)-2-butene-2,3-dithiolate; nickel
OPENEYE Name: (Z)-but-2-ene-2,3-dithiolate; nickel
IUPAC Name: (Z)-but-2-ene-2,3-dithiolate; nickel
SYSTEMATIC NAME: (Z)-but-2-ene-2,3-dithiolate; nickel
MOLECULAR FORMULA: C8H12NiS4-4
MOLECULAR WEIGHT: 295.13428
SMILES: C/C(=C(/[S-])\C)/[S-].C/C(=C(/[S-])\C)/[S-].[Ni]
Structure:
CAS RN: 19141-54-9
CAS Name: (Z)-2-butene-2,3-dithiolate; nickel
OPENEYE Name: (Z)-but-2-ene-2,3-dithiolate; nickel
IUPAC Name: (Z)-but-2-ene-2,3-dithiolate; nickel
SYSTEMATIC NAME: (Z)-but-2-ene-2,3-dithiolate; nickel
MOLECULAR FORMULA: C8H12NiS4-4
MOLECULAR WEIGHT: 295.13428
SMILES: C/C(=C(/[S-])\C)/[S-].C/C(=C(/[S-])\C)/[S-].[Ni]
Structure:
CAS RN: 38951-94-9
CAS Name: (Z)-2-butene-2,3-dithiolate; nickel
OPENEYE Name: (Z)-but-2-ene-2,3-dithiolate; nickel
IUPAC Name: (Z)-but-2-ene-2,3-dithiolate; nickel
SYSTEMATIC NAME: (Z)-but-2-ene-2,3-dithiolate; nickel
MOLECULAR FORMULA: C8H12NiS4-4
MOLECULAR WEIGHT: 295.13428
SMILES: C/C(=C(/[S-])\C)/[S-].C/C(=C(/[S-])\C)/[S-].[Ni]
Structure:
CAS RN: 38801-08-0
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-[(2E)-2-[6-[[[[(6Z)-6-[(4-carboxyphenyl)hydrazinylidene]-5-oxo-7-sulfo-2-naphthalenyl]amino]-oxomethyl]amino]-1-oxo-3-sulfo-2-naphthalenylidene]hydrazinyl]benzoic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-[(2E)-2-[6-[[(6Z)-6-[(4-carboxyphenyl)hydrazono]-5-oxo-7-sulfo-2-naphthyl]carbamoylamino]-1-oxo-3-sulfo-2-naphthylidene]hydrazino]benzoic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-[(2E)-2-[6-[[(6Z)-6-[(4-carboxyphenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoylamino]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]benzoic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-[(2E)-2-[6-[[(6Z)-6-[(4-carboxyphenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]carbamoylamino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]benzoic acid
MOLECULAR FORMULA: C59H84N10O25S2
MOLECULAR WEIGHT: 1397.48026
SMILES: C1=CC(=CC=C1C(=O)O)N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C(=O)/C(=N\NC6=CC=C(C=C6)C(=O)O)/C(=C5)S(=O)(=O)O)S(=O)(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO
Structure:
CAS RN: 38746-53-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H16O8
MOLECULAR WEIGHT: 384.33624
SMILES: CC(=O)OC1CC2C(O1)OC3=CC(=C4C(=C23)OC5=C(C4=O)C(=CC=C5)O)OC
Structure:
CAS RN: 38746-54-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H16O8
MOLECULAR WEIGHT: 384.33624
SMILES: CC(=O)OC1CC2C(O1)OC3=CC(=C4C(=C23)OC5=C(C4=O)C(=CC=C5)O)OC
Structure:
CAS RN: 38566-54-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H38Cl2N2O6
MOLECULAR WEIGHT: 665.60272
SMILES: CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=C(COC5=C(C=C6CCNC(=C6C5=O)CC7=CC=C(O3)C=C7)OC)C=C4)O)OC.Cl.Cl
Structure:
No comments:
Post a Comment