CAS RN: 36001-47-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H26O26
MOLECULAR WEIGHT: 934.62954
SMILES: C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
Structure:
CAS RN: 4076-50-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H26O26
MOLECULAR WEIGHT: 934.62954
SMILES: C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
Structure:
CAS RN: 27961-95-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H32O8
MOLECULAR WEIGHT: 448.50608
SMILES: CC(=O)O[C@H]1CCC([C@@H]2C13CO[C@@]([C@H]2O)(C45[C@H]3[C@@H](C[C@@H](C4)C(=C)C5=O)OC(=O)C)O)(C)C
Structure:
CAS RN: 24057-83-8
CAS Name: N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[[11-(2-amino-2-oxoethyl)-8-(3-amino-3-oxopropyl)-2-[(4-hydroxyphenyl)methyl]-3,6,9,12,20-pentaoxo-5-(phenylmethyl)-1,4,7,10,13-pentazacycloeicos-14-yl]-oxomethyl]-2-pyrrolid
OPENEYE Name: 1-[11-(2-amino-2-oxo-ethyl)-8-(3-amino-3-oxo-propyl)-5-benzyl-2-[(4-hydroxyphenyl)methyl]-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentazacycloicosane-14-carbonyl]-N-[1-[(2-amino-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl]pyrrolidine-2-carboxamide
IUPAC Name: N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[11-(2-amino-2-oxoethyl)-8-(3-amino-3-oxopropyl)-5-benzyl-2-[(4-hydroxyphenyl)methyl]-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentazacycloicosane-14-carbonyl]pyrrolidine-2-carboxami
SYSTEMATIC NAME: N-[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-[[11-(2-azanyl-2-oxidanylidene-ethyl)-8-(3-azanyl-3-oxidanylidene-propyl)-2-[(4-hydroxyphenyl)methyl]-3,6,9,12,20-pentakis(oxidanylidene)-5-(phenyl
MOLECULAR FORMULA: C48H68N14O12
MOLECULAR WEIGHT: 1033.14012
SMILES: C1CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC1)CC2=CC=C(C=C2)O)CC3=CC=CC=C3)CCC(=O)N)CC(=O)N)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
Structure:
CAS RN: 40944-53-4
CAS Name: N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[[11-(2-amino-2-oxoethyl)-8-(3-amino-3-oxopropyl)-2-[(4-hydroxyphenyl)methyl]-3,6,9,12,20-pentaoxo-5-(phenylmethyl)-1,4,7,10,13-pentazacycloeicos-14-yl]-oxomethyl]-2-pyrrolid
OPENEYE Name: 1-[11-(2-amino-2-oxo-ethyl)-8-(3-amino-3-oxo-propyl)-5-benzyl-2-[(4-hydroxyphenyl)methyl]-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentazacycloicosane-14-carbonyl]-N-[1-[(2-amino-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl]pyrrolidine-2-carboxamide
IUPAC Name: N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[11-(2-amino-2-oxoethyl)-8-(3-amino-3-oxopropyl)-5-benzyl-2-[(4-hydroxyphenyl)methyl]-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentazacycloicosane-14-carbonyl]pyrrolidine-2-carboxami
SYSTEMATIC NAME: N-[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-[[11-(2-azanyl-2-oxidanylidene-ethyl)-8-(3-azanyl-3-oxidanylidene-propyl)-2-[(4-hydroxyphenyl)methyl]-3,6,9,12,20-pentakis(oxidanylidene)-5-(phenyl
MOLECULAR FORMULA: C48H68N14O12
MOLECULAR WEIGHT: 1033.14012
SMILES: C1CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC1)CC2=CC=C(C=C2)O)CC3=CC=CC=C3)CCC(=O)N)CC(=O)N)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
Structure:
CAS RN: 27677-26-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H38O7
MOLECULAR WEIGHT: 426.54362
SMILES: CCC(=O)OC1[C@H]2CC[C@@H]3[C@]1(C[C@H]([C@]4([C@H]([C@]3(C)O)C[C@@H](C4(C)C)O)O)O)C[C@@]2(C)O
Structure:
CAS RN: 23943-93-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H37NO6
MOLECULAR WEIGHT: 423.54298
SMILES: CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC)OC)O)O)OC)O
Structure:
CAS RN: 27360-07-2
CAS Name: (2S)-N-[(2S,3S,4S,6R)-6-[[(3S)-3-acetyl-3,12-dihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-4-oxanyl]-2-amino-4-methylpentanamide hydrochloride
OPENEYE Name: (2S)-N-[(2S,3S,4S,6R)-6-[[(3S)-3-acetyl-3,12-dihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]-2-amino-4-methyl-pentanamide hydrochloride
IUPAC Name: (2S)-N-[(2S,3S,4S,6R)-6-[[(3S)-3-acetyl-3,12-dihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2-amino-4-methylpentanamide hydrochloride
SYSTEMATIC NAME: (2S)-2-azanyl-N-[(2S,3S,4S,6R)-6-[[(3S)-3-ethanoyl-10-methoxy-3,12-bis(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]-4-methyl-pentanamide hydrochloride
MOLECULAR FORMULA: C33H41ClN2O10
MOLECULAR WEIGHT: 661.13904
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)OC2C[C@@](CC3=C2C(=C4C(=C3)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(=O)[C@H](CC(C)C)N)O.Cl
Structure:
CAS RN: 1112-38-5
CAS Name: hydroxy-dimethoxy-sulfanylidenephosphorane
OPENEYE Name: hydroxy-dimethoxy-thioxo-$l^{5}-phosphane
IUPAC Name: hydroxy-dimethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: dimethoxy-oxidanyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C2H7O3PS
MOLECULAR WEIGHT: 142.113941
SMILES: COP(=S)(O)OC
Structure:
CAS RN: 27182-54-3
CAS Name: (3aR,9R,9aR,9bS)-1,1,9,9a-tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho[2,1-c]dioxol-5-one
OPENEYE Name: (3aR,9R,9aR,9bS)-1,1,9,9a-tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho[2,1-c]dioxol-5-one
IUPAC Name: (3aR,9R,9aR,9bS)-1,1,9,9a-tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho[2,1-c]dioxol-5-one
SYSTEMATIC NAME: (3aR,9R,9aR,9bS)-1,1,9,9a-tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho[2,1-c][1,2]dioxol-5-one
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: C[C@@H]1CCC=C2[C@]1([C@H]3[C@@H](CC2=O)OOC3(C)C)C
Structure:
CAS RN: 23701-49-7
CAS Name: (2S)-2-[[2-(diethoxyphosphorylthio)-1-oxoethyl]amino]-3-methylbutanoic acid ethyl ester
OPENEYE Name: ethyl (2S)-2-[(2-diethoxyphosphorylsulfanylacetyl)amino]-3-methyl-butanoate
IUPAC Name: ethyl (2S)-2-[(2-diethoxyphosphorylsulfanylacetyl)amino]-3-methylbutanoate
SYSTEMATIC NAME: ethyl (2S)-2-(2-diethoxyphosphorylsulfanylethanoylamino)-3-methyl-butanoate
MOLECULAR FORMULA: C13H26NO6PS
MOLECULAR WEIGHT: 355.387401
SMILES: CCOC(=O)[C@H](C(C)C)NC(=O)CSP(=O)(OCC)OCC
Structure:
CAS RN: 6337-78-6
CAS Name: 1,3,5,6,8-pentamethyl-1,10-phenanthrolin-1-ium
OPENEYE Name: 1,3,5,6,8-pentamethyl-1,10-phenanthrolin-1-ium
IUPAC Name: 1,3,5,6,8-pentamethyl-1,10-phenanthrolin-1-ium
SYSTEMATIC NAME: 1,3,5,6,8-pentamethyl-1,10-phenanthrolin-1-ium
MOLECULAR FORMULA: C17H19N2+
MOLECULAR WEIGHT: 251.34616
SMILES: CC1=CN=C2C(=C1)C(=C(C3=CC(=C[N+](=C32)C)C)C)C
Structure:
CAS RN: 56859-24-6
CAS Name: 1,3,5,6,8-pentamethyl-1,10-phenanthrolin-1-ium iodide
OPENEYE Name: 1,3,5,6,8-pentamethyl-1,10-phenanthrolin-1-ium iodide
IUPAC Name: 1,3,5,6,8-pentamethyl-1,10-phenanthrolin-1-ium iodide
SYSTEMATIC NAME: 1,3,5,6,8-pentamethyl-1,10-phenanthrolin-1-ium iodide
MOLECULAR FORMULA: C17H19IN2
MOLECULAR WEIGHT: 378.25063
SMILES: CC1=CN=C2C(=C1)C(=C(C3=CC(=C[N+](=C32)C)C)C)C.[I-]
Structure:
CAS RN: 23624-78-4
CAS Name: 1,3,5,6,8-pentamethyl-1,10-phenanthrolin-1-ium iodide
OPENEYE Name: 1,3,5,6,8-pentamethyl-1,10-phenanthrolin-1-ium iodide
IUPAC Name: 1,3,5,6,8-pentamethyl-1,10-phenanthrolin-1-ium iodide
SYSTEMATIC NAME: 1,3,5,6,8-pentamethyl-1,10-phenanthrolin-1-ium iodide
MOLECULAR FORMULA: C17H19IN2
MOLECULAR WEIGHT: 378.25063
SMILES: CC1=CN=C2C(=C1)C(=C(C3=CC(=C[N+](=C32)C)C)C)C.[I-]
Structure:
CAS RN: 23581-62-6
CAS Name: N-(2,6-dimethylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide hydrochloride
OPENEYE Name: N-(2,6-dimethylphenyl)quinuclidine-3-carboxamide hydrochloride
IUPAC Name: N-(2,6-dimethylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide hydrochloride
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide hydrochloride
MOLECULAR FORMULA: C16H23ClN2O
MOLECULAR WEIGHT: 294.81962
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C2CN3CCC2CC3.Cl
Structure:
CAS RN: 23570-43-6
CAS Name: 1,10-phenanthroline; ruthenium(2+); dichloride
OPENEYE Name: 1,10-phenanthroline; ruthenium(2+); dichloride
IUPAC Name: 1,10-phenanthroline; ruthenium(2+); dichloride
SYSTEMATIC NAME: 1,10-phenanthroline; ruthenium(2+); dichloride
MOLECULAR FORMULA: C36H24Cl2N6Ru
MOLECULAR WEIGHT: 712.59196
SMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cl-].[Cl-].[Ru+2]
Structure:
CAS RN: 23567-96-6
CAS Name: [(2R,3S,4R,5R)-5-(6-amino-8-bromo-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-amino-8-bromo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C10H13BrN5O7P
MOLECULAR WEIGHT: 426.117281
SMILES: C1=NC2=C(C(=N1)N)N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)Br
Structure:
CAS RN: 24157-79-7
CAS Name: iron(3+); (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
OPENEYE Name: ferric (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
IUPAC Name: iron(3+); (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
SYSTEMATIC NAME: iron(3+); (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
MOLECULAR FORMULA: C6H18FeO24P6+3
MOLECULAR WEIGHT: 715.880286
SMILES: C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O.[Fe+3]
Structure:
CAS RN: 23513-15-7
CAS Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone
OPENEYE Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)tetradecan-3-one
IUPAC Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
SYSTEMATIC NAME: (5S)-1-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-tetradecan-3-one
MOLECULAR FORMULA: C21H34O4
MOLECULAR WEIGHT: 350.49226
SMILES: CCCCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O
Structure:
CAS RN: 26798-33-4
CAS Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone
OPENEYE Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)tetradecan-3-one
IUPAC Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
SYSTEMATIC NAME: (5S)-1-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-tetradecan-3-one
MOLECULAR FORMULA: C21H34O4
MOLECULAR WEIGHT: 350.49226
SMILES: CCCCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O
Structure:
CAS RN: 23513-08-8
CAS Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone
OPENEYE Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)dodecan-3-one
IUPAC Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
SYSTEMATIC NAME: (5S)-1-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-dodecan-3-one
MOLECULAR FORMULA: C19H30O4
MOLECULAR WEIGHT: 322.4391
SMILES: CCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O
Structure:
CAS RN: 26795-76-6
CAS Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone
OPENEYE Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)dodecan-3-one
IUPAC Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
SYSTEMATIC NAME: (5S)-1-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-dodecan-3-one
MOLECULAR FORMULA: C19H30O4
MOLECULAR WEIGHT: 322.4391
SMILES: CCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O
Structure:
CAS RN: 23438-11-1
CAS Name: 2-methyl-2-(4-methylphenoxy)propanoic acid
OPENEYE Name: 2-methyl-2-(4-methylphenoxy)propanoic acid
IUPAC Name: 2-methyl-2-(4-methylphenoxy)propanoic acid
SYSTEMATIC NAME: 2-methyl-2-(4-methylphenoxy)propanoic acid
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CC1=CC=C(C=C1)OC(C)(C)C(=O)O
Structure:
CAS RN: 23405-83-6
CAS Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)-3-oxolanyl] [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl hydrogen phosphate
OPENEYE Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
IUPAC Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C19H25N8O10P
MOLECULAR WEIGHT: 556.423161
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=NC5=C4NC(=NC5=O)N)O
Structure:
CAS RN: 26576-56-7
CAS Name: acetic acid [(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxo-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] ester
OPENEYE Name: [(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxo-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] acetate
IUPAC Name: [(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxo-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] acetate
SYSTEMATIC NAME: [(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxidanylidene-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] ethanoate
MOLECULAR FORMULA: C22H29NO3
MOLECULAR WEIGHT: 355.47056
SMILES: CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)NCC[C@H]34)C)C#C
Structure:
CAS RN: 26505-12-4
CAS Name: (5S,5aR,8aR,9R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
OPENEYE Name: (5S,5aR,8aR,9R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
IUPAC Name: (5S,5aR,8aR,9R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
SYSTEMATIC NAME: (5S,5aR,8aR,9R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-bis(oxidanyl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
MOLECULAR FORMULA: C34H34O13
MOLECULAR WEIGHT: 650.62596
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)COC(O7)C8=CC=CC=C8)O)O
Structure:
CAS RN: 23363-14-6
CAS Name: yttrium(3+) triacetate
OPENEYE Name: yttrium(3+) triacetate
IUPAC Name: yttrium(3+) triacetate
SYSTEMATIC NAME: yttrium(3+) triethanoate
MOLECULAR FORMULA: C6H9O6Y
MOLECULAR WEIGHT: 266.03791
SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Y+3]
Structure:
CAS RN: 26495-82-9
CAS Name: (2S)-2-aminopentane-1,5-dithiol hydrochloride
OPENEYE Name: (2S)-2-aminopentane-1,5-dithiol hydrochloride
IUPAC Name: (2S)-2-aminopentane-1,5-dithiol hydrochloride
SYSTEMATIC NAME: (2S)-2-azanylpentane-1,5-dithiol hydrochloride
MOLECULAR FORMULA: C5H14ClNS2
MOLECULAR WEIGHT: 187.75436
SMILES: C(C[C@@H](CS)N)CS.Cl
Structure:
CAS RN: 26386-08-3
CAS Name: 4-[(2R,3S,5S)-5-[(2S,3S)-3-[[(2S,4R,6R)-4-[[(2S,4R,5R,6R)-4-[[(2S,5S,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyl-2-oxanyl]oxy]-5-hydroxy-6-methyl-2-oxanyl]oxy]-5-hydroxy-6-methyl-2-oxanyl]oxy]-7-[[(2S,4R,5S,6R)-4-acetyloxy-5-[[(2R,4R,5R,6R)-4-hydroxy-5-methoxy
OPENEYE Name: 4-[(1R,2S,4S)-4-[(2S,3S)-3-[(2S,4R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-acetoxy-4-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7-[(2S,4R,5S,6R)-4-acetoxy-5-[(2R,4R,5R
IUPAC Name: 4-[(2R,3S,5S)-5-[(2S,3S)-3-[(2S,4R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[(2S,4R,5S,6R)-4-acetyloxy-5-[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methy
SYSTEMATIC NAME: 4-[(2R,3S,5S)-5-[(2S,3S)-3-[(2S,4R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-acetyloxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-7-[(2S,4R,5S,6R)-4-acetyloxy-5-[(2R,4R,5R,6R)-5-methoxy-6-methyl-4-
MOLECULAR FORMULA: C61H86O29
MOLECULAR WEIGHT: 1283.31814
SMILES: C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H](C2O)C)O[C@H]3[C@@H](CC4=C(C3=O)C(=C5C(=C4)C=C(C(=C5O)C)O[C@H]6C[C@H]([C@H]([C@H](O6)C)O[C@@H]7C[C@H]([C@H]([C@H](O7)C)OC)O)OC(=O)C)O)[C@@H](C(=O)[C@H]([C@@H](C)OC(=O)CCC(=O)O)O)OC)O[C@H]8CC([C@H]([C@
Structure:
CAS RN: 23250-73-9
CAS Name: manganese(2+); 9-octadecenoate
OPENEYE Name: manganous octadec-9-enoate
IUPAC Name: manganese(2+); octadec-9-enoate
SYSTEMATIC NAME: manganese(2+); octadec-9-enoate
MOLECULAR FORMULA: C36H66MnO4
MOLECULAR WEIGHT: 617.844889
SMILES: CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)[O-].[Mn+2]
Structure:
CAS RN: 22820-26-4
CAS Name: (2S)-2-amino-4-pentynoic acid
OPENEYE Name: (2S)-2-aminopent-4-ynoic acid
IUPAC Name: (2S)-2-aminopent-4-ynoic acid
SYSTEMATIC NAME: (2S)-2-azanylpent-4-ynoic acid
MOLECULAR FORMULA: C5H7NO2
MOLECULAR WEIGHT: 113.11458
SMILES: C#CC[C@@H](C(=O)O)N
Structure:
CAS RN: 23235-01-0
CAS Name: (2S)-2-amino-4-pentynoic acid
OPENEYE Name: (2S)-2-aminopent-4-ynoic acid
IUPAC Name: (2S)-2-aminopent-4-ynoic acid
SYSTEMATIC NAME: (2S)-2-azanylpent-4-ynoic acid
MOLECULAR FORMULA: C5H7NO2
MOLECULAR WEIGHT: 113.11458
SMILES: C#CC[C@@H](C(=O)O)N
Structure:
CAS RN: 23221-95-6
CAS Name: 2-[4-[3-(2-chloro-10-phenothiazinyl)propyl]-1-piperazinyl]ethanol hydrochloride
OPENEYE Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol hydrochloride
IUPAC Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol hydrochloride
SYSTEMATIC NAME: 2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol hydrochloride
MOLECULAR FORMULA: C21H27Cl2N3OS
MOLECULAR WEIGHT: 440.42958
SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl
Structure:
CAS RN: 23191-75-5
CAS Name: 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: diethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C20H22F3NO4
MOLECULAR WEIGHT: 397.38819
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)OCC)C)C
Structure:
CAS RN: 23111-33-3
CAS Name: 4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione
OPENEYE Name: 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-pyrazolidine-3,5-dione
IUPAC Name: 4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C20H22N2O3
MOLECULAR WEIGHT: 338.40028
SMILES: CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CO
Structure:
CAS RN: 23100-08-5
CAS Name: N-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide
OPENEYE Name: N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-butanamide
IUPAC Name: N-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide
SYSTEMATIC NAME: N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-butanamide
MOLECULAR FORMULA: C10H17N3O
MOLECULAR WEIGHT: 195.26148
SMILES: CC(C)CC(=O)NCCC1=CN=CN1
Structure:
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