CAS RN: 51025-95-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20NO6P
MOLECULAR WEIGHT: 365.317561
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)OP(=O)(O)O
Structure:
CAS RN: 50461-86-4
CAS Name: 5,7-dihydroxy-3,6,8-trimethoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3,6,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-3,6,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3,6,8-trimethoxy-2-(4-methoxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C19H18O8
MOLECULAR WEIGHT: 374.34142
SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3O)OC)O)OC)OC
Structure:
CAS RN: 50277-02-6
CAS Name: 7-(3,5-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-6-pyrano[3,2-g][1]benzopyranone
OPENEYE Name: 7-(3,5-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-pyrano[3,2-g]chromen-6-one
IUPAC Name: 7-(3,5-dihydroxyphenyl)-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
SYSTEMATIC NAME: 7-[3,5-bis(oxidanyl)phenyl]-2,2-dimethyl-5-oxidanyl-pyrano[3,2-g]chromen-6-one
MOLECULAR FORMULA: C20H16O6
MOLECULAR WEIGHT: 352.33744
SMILES: CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC(=CC(=C4)O)O)C
Structure:
CAS RN: 41583-84-0
CAS Name: 8-[5-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-hydroxy-phenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
IUPAC Name: 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-7-methoxy-2-(4-methoxyphenyl)-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C32H22O10
MOLECULAR WEIGHT: 566.51108
SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
Structure:
CAS RN: 25991-81-5
CAS Name: 6,8-dihydroxy-1,2-dimethoxy-9-xanthenone
OPENEYE Name: 6,8-dihydroxy-1,2-dimethoxy-xanthen-9-one
IUPAC Name: 6,8-dihydroxy-1,2-dimethoxyxanthen-9-one
SYSTEMATIC NAME: 1,2-dimethoxy-6,8-bis(oxidanyl)xanthen-9-one
MOLECULAR FORMULA: C15H12O6
MOLECULAR WEIGHT: 288.25218
SMILES: COC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O)OC
Structure:
CAS RN: 22052-75-1
CAS Name: 7-hydroxy-2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-benzopyran-4-one
OPENEYE Name: 7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
IUPAC Name: 7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
SYSTEMATIC NAME: 2-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C21H20O9
MOLECULAR WEIGHT: 416.3781
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 5060-25-3
CAS Name: (5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (5S,8R,9S,10S,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C29H50O
MOLECULAR WEIGHT: 414.7067
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)C(C)C
Structure:
CAS RN: 134867-99-5
CAS Name: 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine
OPENEYE Name: 2-[(E)-[(2-amino-5-chloro-phenyl)-phenyl-methylene]amino]guanidine
IUPAC Name: 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine
SYSTEMATIC NAME: 2-[(E)-[(2-azanyl-5-chloranyl-phenyl)-phenyl-methylidene]amino]guanidine
MOLECULAR FORMULA: C14H14ClN5
MOLECULAR WEIGHT: 287.74746
SMILES: C1=CC=C(C=C1)/C(=N\N=C(N)N)/C2=C(C=CC(=C2)Cl)N
Structure:
CAS RN: 98451-50-4
CAS Name: 4-amino-3-(hydroxymethyl)-2-nitrophenol
OPENEYE Name: 4-amino-3-(hydroxymethyl)-2-nitro-phenol
IUPAC Name: 4-amino-3-(hydroxymethyl)-2-nitrophenol
SYSTEMATIC NAME: 4-azanyl-3-(hydroxymethyl)-2-nitro-phenol
MOLECULAR FORMULA: C7H8N2O4
MOLECULAR WEIGHT: 184.14942
SMILES: C1=CC(=C(C(=C1N)CO)[N+](=O)[O-])O
Structure:
CAS RN: 98451-49-1
CAS Name: [2-(hydroxyamino)-6-nitrophenyl]methanol
OPENEYE Name: [2-(hydroxyamino)-6-nitro-phenyl]methanol
IUPAC Name: [2-(hydroxyamino)-6-nitrophenyl]methanol
SYSTEMATIC NAME: [2-nitro-6-(oxidanylamino)phenyl]methanol
MOLECULAR FORMULA: C7H8N2O4
MOLECULAR WEIGHT: 184.14942
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])CO)NO
Structure:
CAS RN: 97949-47-8
CAS Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxopropyl]amino]-1-oxopropyl]amino]-5-amino-1,5-dioxopentyl]amino]propanoic acid 2,3-dihydroxypropyl ester
OPENEYE Name: 2,3-dihydroxypropyl (2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxo-pentanoyl]amino]propanoate
IUPAC Name: 2,3-dihydroxypropyl (2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl (2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2R,3S,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]amino]propanoate
MOLECULAR FORMULA: C25H43N5O14
MOLECULAR WEIGHT: 637.63402
SMILES: C[C@@H](C(=O)N[C@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)OCC(CO)O)NC(=O)C(C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C
Structure:
CAS RN: 96722-61-1
CAS Name: (2E)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetic acid ethyl ester
OPENEYE Name: ethyl (2E)-2-chloro-2-[(3,5-dichlorophenyl)hydrazono]acetate
IUPAC Name: ethyl (2E)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate
SYSTEMATIC NAME: ethyl (2E)-2-[[3,5-bis(chloranyl)phenyl]hydrazinylidene]-2-chloranyl-ethanoate
MOLECULAR FORMULA: C10H9Cl3N2O2
MOLECULAR WEIGHT: 295.54966
SMILES: CCOC(=O)/C(=N\NC1=CC(=CC(=C1)Cl)Cl)/Cl
Structure:
CAS RN: 96253-81-5
CAS Name: 8-[6-(5,7-dihydroxy-3-methoxy-4-oxo-1-benzopyran-2-yl)-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-1-benzopyran-4-one
OPENEYE Name: 8-[6-(5,7-dihydroxy-3-methoxy-4-oxo-chromen-2-yl)-2,3-dihydroxy-phenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-chromen-4-one
IUPAC Name: 8-[6-(5,7-dihydroxy-3-methoxy-4-oxochromen-2-yl)-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-3-methoxy-8-[6-[3-methoxy-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2,3-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C32H22O14
MOLECULAR WEIGHT: 630.50868
SMILES: COC1=C(OC2=C(C1=O)C(=CC(=C2C3=C(C=CC(=C3O)O)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)OC)O)O)C6=CC(=C(C=C6)O)O
Structure:
CAS RN: 94786-86-4
CAS Name: zinc; (2S)-2-(2,6-dimethyl-N-(1-oxo-2-phenylethyl)anilino)propanoic acid methyl ester; manganese(2+); N-[2-[[sulfanylidene(sulfido)methyl]amino]ethyl]carbamodithioate
OPENEYE Name: manganous; zinc; methyl (2S)-2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate; N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
IUPAC Name: zinc; manganese(2+); methyl (2S)-2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate; N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
SYSTEMATIC NAME: zinc; manganese(2+); methyl (2S)-2-[(2,6-dimethylphenyl)-(2-phenylethanoyl)amino]propanoate; N-[2-(sulfanidylcarbothioylamino)ethyl]carbamodithioate
MOLECULAR FORMULA: C28H35MnN5O3S8Zn
MOLECULAR WEIGHT: 866.476249
SMILES: CC1=C(C(=CC=C1)C)N([C@@H](C)C(=O)OC)C(=O)CC2=CC=CC=C2.C(CNC(=S)[S-])NC(=S)[S-].C(CNC(=S)[S-])NC(=S)[S-].[Mn+2].[Zn+2]
Structure:
CAS RN: 143441-80-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H17N5O3
MOLECULAR WEIGHT: 291.30578
SMILES: C[C@@H]1C[C@H](N2C(=O)C3=C(NC2=N1)N=C4N3[C@H](C[C@@H]4O)C)O
Structure:
CAS RN: 143441-79-6
CAS Name: (6S,8R)-8-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
OPENEYE Name: (6S,8R)-8-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
IUPAC Name: (6S,8R)-8-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
SYSTEMATIC NAME: (6S,8R)-3-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-methyl-8-oxidanyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
MOLECULAR FORMULA: C14H19N5O5
MOLECULAR WEIGHT: 337.33116
SMILES: C[C@H]1C[C@H](N2C(=O)C3=C(NC2=N1)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O)O
Structure:
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