CAS RN: 53026-61-2
CAS Name: dialuminum 2',4',5',7'-tetraiodo-3-oxospiro[isobenzofuran-1,9'-xanthene]-3',6'-diolate
OPENEYE Name: dialuminum 2',4',5',7'-tetraiodo-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diolate
IUPAC Name: dialuminum 2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
SYSTEMATIC NAME: dialuminum 2',4',5',7'-tetrakis(iodanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
MOLECULAR FORMULA: C60H18Al2I12O15
MOLECULAR WEIGHT: 2555.592636
SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)[O-])I)I)[O-])I.C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)[O-])I)I)[O-])I.C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)[O-])I)I)[O-])I.[Al+3].[Al+3]
Structure:
CAS RN: 78729-86-9
CAS Name: dialuminum 2',4',5',7'-tetraiodo-3-oxospiro[isobenzofuran-1,9'-xanthene]-3',6'-diolate
OPENEYE Name: dialuminum 2',4',5',7'-tetraiodo-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diolate
IUPAC Name: dialuminum 2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
SYSTEMATIC NAME: dialuminum 2',4',5',7'-tetrakis(iodanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
MOLECULAR FORMULA: C60H18Al2I12O15
MOLECULAR WEIGHT: 2555.592636
SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)[O-])I)I)[O-])I.C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)[O-])I)I)[O-])I.C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)[O-])I)I)[O-])I.[Al+3].[Al+3]
Structure:
CAS RN: 11097-03-3
CAS Name: 2-[[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-3-oxanyl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
OPENEYE Name: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-3,4-diol
IUPAC Name: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
SYSTEMATIC NAME: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-oxane-3,4-diol
MOLECULAR FORMULA: C20H38O11
MOLECULAR WEIGHT: 454.50912
SMILES: CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O
Structure:
CAS RN: 154608-92-1
CAS Name: 2-[[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-3-oxanyl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
OPENEYE Name: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-3,4-diol
IUPAC Name: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
SYSTEMATIC NAME: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-oxane-3,4-diol
MOLECULAR FORMULA: C20H38O11
MOLECULAR WEIGHT: 454.50912
SMILES: CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O
Structure:
CAS RN: 166735-68-8
CAS Name: 2-[[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-3-oxanyl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
OPENEYE Name: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-3,4-diol
IUPAC Name: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
SYSTEMATIC NAME: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-oxane-3,4-diol
MOLECULAR FORMULA: C20H38O11
MOLECULAR WEIGHT: 454.50912
SMILES: CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O
Structure:
CAS RN: 51331-16-9
CAS Name: 2-[[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-3-oxanyl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
OPENEYE Name: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-3,4-diol
IUPAC Name: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
SYSTEMATIC NAME: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-oxane-3,4-diol
MOLECULAR FORMULA: C20H38O11
MOLECULAR WEIGHT: 454.50912
SMILES: CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O
Structure:
CAS RN: 57307-96-7
CAS Name: 2-[[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-3-oxanyl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
OPENEYE Name: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-3,4-diol
IUPAC Name: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
SYSTEMATIC NAME: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-oxane-3,4-diol
MOLECULAR FORMULA: C20H38O11
MOLECULAR WEIGHT: 454.50912
SMILES: CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O
Structure:
CAS RN: 9004-57-3
CAS Name: 2-[[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-3-oxanyl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
OPENEYE Name: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-3,4-diol
IUPAC Name: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
SYSTEMATIC NAME: 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-oxane-3,4-diol
MOLECULAR FORMULA: C20H38O11
MOLECULAR WEIGHT: 454.50912
SMILES: CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O
Structure:
CAS RN: 76-50-6
CAS Name: 3-methylbutanoic acid [(3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester
OPENEYE Name: [(1S,2R)-1,7,7-trimethylnorbornan-2-yl] 3-methylbutanoate
IUPAC Name: [(3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 3-methylbutanoate
SYSTEMATIC NAME: [(3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 3-methylbutanoate
MOLECULAR FORMULA: C15H26O2
MOLECULAR WEIGHT: 238.36574
SMILES: CC(C)CC(=O)O[C@@H]1CC2CC[C@]1(C2(C)C)C
Structure:
CAS RN: 314-13-6
CAS Name: tetrasodium 4-amino-6-[[4-[4-[2-(8-amino-1-oxo-5,7-disulfonato-2-naphthalenylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-5-oxonaphthalene-1,3-disulfonate
OPENEYE Name: tetrasodium 4-amino-6-[[4-[4-[2-(8-amino-1-oxo-5,7-disulfonato-2-naphthylidene)hydrazino]-3-methyl-phenyl]-2-methyl-phenyl]hydrazono]-5-oxo-naphthalene-1,3-disulfonate
IUPAC Name: tetrasodium 4-amino-6-[[4-[4-[2-(8-amino-1-oxo-5,7-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-5-oxonaphthalene-1,3-disulfonate
SYSTEMATIC NAME: tetrasodium 4-azanyl-6-[[4-[4-[2-(8-azanyl-1-oxidanylidene-5,7-disulfonato-naphthalen-2-ylidene)hydrazinyl]-3-methyl-phenyl]-2-methyl-phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-1,3-disulfonate
MOLECULAR FORMULA: C34H24N6Na4O14S4
MOLECULAR WEIGHT: 960.80524
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C=CC4=C(C3=O)C(=C(C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])N)C)NN=C5C=CC6=C(C5=O)C(=C(C=C6S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 914295-16-2
CAS Name: disodium [6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-3-oxo-4-pyrido[3,2-b][1,4]oxazinyl]methyl phosphate hexahydrate
OPENEYE Name: disodium [6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxo-pyrido[3,2-b][1,4]oxazin-4-yl]methyl phosphate hexahydrate
IUPAC Name: disodium [6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl phosphate hexahydrate
SYSTEMATIC NAME: disodium [6-[[5-fluoranyl-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxidanylidene-pyrido[3,2-b][1,4]oxazin-4-yl]methyl phosphate hexahydrate
MOLECULAR FORMULA: C23H36FN6Na2O15P
MOLECULAR WEIGHT: 732.514844
SMILES: CC1(C(=O)N(C2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)COP(=O)([O-])[O-])C.O.O.O.O.O.O.[Na+].[Na+]
Structure:
CAS RN: 1019995-16-4
CAS Name: 4-[(4-ethoxy-1,4-dioxobutyl)amino]-3-pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-[(4-ethoxy-4-oxo-butanoyl)amino]pyridine-3-carboxylate
IUPAC Name: ethyl 4-[(4-ethoxy-4-oxobutanoyl)amino]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 4-[(4-ethoxy-4-oxidanylidene-butanoyl)amino]pyridine-3-carboxylate
MOLECULAR FORMULA: C14H18N2O5
MOLECULAR WEIGHT: 294.30312
SMILES: CCOC(=O)CCC(=O)NC1=C(C=NC=C1)C(=O)OCC
Structure:
CAS RN: 14248-71-6
CAS Name: 2-ethoxy-3-pyridinecarbonitrile
OPENEYE Name: 2-ethoxypyridine-3-carbonitrile
IUPAC Name: 2-ethoxypyridine-3-carbonitrile
SYSTEMATIC NAME: 2-ethoxypyridine-3-carbonitrile
MOLECULAR FORMULA: C8H8N2O
MOLECULAR WEIGHT: 148.16192
SMILES: CCOC1=C(C=CC=N1)C#N
Structure:
CAS RN: 1019335-91-1
CAS Name: 1-(1-anthracenylmethyl)-4-phenyltriazole
OPENEYE Name: 1-(1-anthrylmethyl)-4-phenyl-triazole
IUPAC Name: 1-(anthracen-1-ylmethyl)-4-phenyltriazole
SYSTEMATIC NAME: 1-(anthracen-1-ylmethyl)-4-phenyl-1,2,3-triazole
MOLECULAR FORMULA: C23H17N3
MOLECULAR WEIGHT: 335.40118
SMILES: C1=CC=C(C=C1)C2=CN(N=N2)CC3=CC=CC4=CC5=CC=CC=C5C=C43
Structure:
CAS RN: 176486-63-8
CAS Name: (2R,4R)-4-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2R,4R)-1-tert-butoxycarbonyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
IUPAC Name: (2R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C25H28N2O6
MOLECULAR WEIGHT: 452.49962
SMILES: CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
Structure:
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