CAS RN: 863667-79-2
CAS Name: 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,6-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C21H20O12
MOLECULAR WEIGHT: 464.3763
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)O)O
Structure:
CAS RN: 53981-24-1
CAS Name: 2-amino-5-fluorophenol
OPENEYE Name: 2-amino-5-fluoro-phenol
IUPAC Name: 2-amino-5-fluorophenol
SYSTEMATIC NAME: 2-azanyl-5-fluoranyl-phenol
MOLECULAR FORMULA: C6H6FNO
MOLECULAR WEIGHT: 127.116343
SMILES: C1=CC(=C(C=C1F)O)N
Structure:
CAS RN: 53915-26-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H20N2O
MOLECULAR WEIGHT: 232.3214
SMILES: C=CC[C@@H]1[C@H]2C[C@@H](CN1)CN3[C@@H]2CC(=O)C=C3
Structure:
CAS RN: 6056-35-5
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-[(2S)-1-methyl-2-pyrrolidinyl]isoquinoline
OPENEYE Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-[(2S)-1-methylpyrrolidin-2-yl]isoquinoline
IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-[(2S)-1-methylpyrrolidin-2-yl]isoquinoline
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-[(2S)-1-methylpyrrolidin-2-yl]isoquinoline
MOLECULAR FORMULA: C24H26N2O4
MOLECULAR WEIGHT: 406.47424
SMILES: CN1CCC[C@H]1C2=CN=C(C3=CC(=C(C=C32)OC)OC)CC4=CC5=C(C=C4)OCO5
Structure:
CAS RN: 53625-15-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H20O5
MOLECULAR WEIGHT: 328.3591
SMILES: C[C@@H]1C[C@@H]2C3=C(CCC[C@H]3[C@@]14C[C@H](OC4=O)C5=COC=C5)C(=O)O2
Structure:
CAS RN: 60112-44-9
CAS Name: 1,2-dibromo-3-phenoxybenzene
OPENEYE Name: 1,2-dibromo-3-phenoxy-benzene
IUPAC Name: 1,2-dibromo-3-phenoxybenzene
SYSTEMATIC NAME: 1,2-bis(bromanyl)-3-phenoxy-benzene
MOLECULAR FORMULA: C12H8Br2O
MOLECULAR WEIGHT: 327.99932
SMILES: C1=CC=C(C=C1)OC2=C(C(=CC=C2)Br)Br
Structure:
CAS RN: 6007-64-3
CAS Name: chromium(3+); lead(2+); oxygen(2-); sulfate
OPENEYE Name: chromic plumbous oxygen(2-) sulfate
IUPAC Name: chromium(3+); lead(2+); oxygen(2-); sulfate
SYSTEMATIC NAME: chromium(3+); lead(2+); oxygen(2-); sulfate
MOLECULAR FORMULA: CrO5PbS+
MOLECULAR WEIGHT: 371.2581
SMILES: [O-2].[O-]S(=O)(=O)[O-].[Cr+3].[Pb+2]
Structure:
CAS RN: 53459-31-7
CAS Name: (2R)-2-amino-3-(carbamoylamino)oxypropanoic acid
OPENEYE Name: (2R)-2-amino-3-ureidooxy-propanoic acid
IUPAC Name: (2R)-2-amino-3-(carbamoylamino)oxypropanoic acid
SYSTEMATIC NAME: (2R)-3-(aminocarbonylamino)oxy-2-azanyl-propanoic acid
MOLECULAR FORMULA: C4H9N3O4
MOLECULAR WEIGHT: 163.13196
SMILES: C([C@H](C(=O)O)N)ONC(=O)N
Structure:
CAS RN: 58682-53-4
CAS Name: [3-(hydroxymethyl)-1-methyl-2,5-dihydropyrrol-2-yl]methanol
OPENEYE Name: [3-(hydroxymethyl)-1-methyl-2,5-dihydropyrrol-2-yl]methanol
IUPAC Name: [3-(hydroxymethyl)-1-methyl-2,5-dihydropyrrol-2-yl]methanol
SYSTEMATIC NAME: [3-(hydroxymethyl)-1-methyl-2,5-dihydropyrrol-2-yl]methanol
MOLECULAR FORMULA: C7H13NO2
MOLECULAR WEIGHT: 143.18362
SMILES: CN1CC=C(C1CO)CO
Structure:
CAS RN: 57195-28-5
CAS Name: acetic acid [(3S,4aR,5S,7R,8S,8aR)-8-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-3,5-diacetyloxy-7,8-dimethyl-4a-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]yl]methyl ester
OPENEYE Name: [(1S,2R,4S,4aR,6S,8aR)-1-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-4,6-diacetoxy-1,2-dimethyl-spiro[decalin-5,2'-oxirane]-4a-yl]methyl acetate
IUPAC Name: [(3S,4aR,5S,7R,8S,8aR)-8-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-3,5-diacetyloxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
SYSTEMATIC NAME: [(3S,4aR,5S,7R,8S,8aR)-8-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-3,5-diacetyloxy-7,8-dimethyl-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl ethanoate
MOLECULAR FORMULA: C26H36O9
MOLECULAR WEIGHT: 492.55864
SMILES: C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)C3C[C@H]4C=CO[C@H]4O3)CC[C@@H](C25CO5)OC(=O)C)COC(=O)C)OC(=O)C
Structure:
CAS RN: 56750-76-6
CAS Name: (1S,8aS)-1-(3-furanyl)-5,8a-dimethyl-7,8-dihydro-1H-2-benzopyran-3-one
OPENEYE Name: (1S,8aS)-1-(3-furyl)-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one
IUPAC Name: (1S,8aS)-1-(furan-3-yl)-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one
SYSTEMATIC NAME: (1S,8aS)-1-(furan-3-yl)-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one
MOLECULAR FORMULA: C15H16O3
MOLECULAR WEIGHT: 244.28574
SMILES: CC1=CCC[C@]2(C1=CC(=O)O[C@@H]2C3=COC=C3)C
Structure:
CAS RN: 5674-91-9
CAS Name: (1R,8aS)-1-(3-furanyl)-5,8a-dimethyl-7,8-dihydro-1H-2-benzopyran-3-one
OPENEYE Name: (1R,8aS)-1-(3-furyl)-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one
IUPAC Name: (1R,8aS)-1-(furan-3-yl)-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one
SYSTEMATIC NAME: (1R,8aS)-1-(furan-3-yl)-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one
MOLECULAR FORMULA: C15H16O3
MOLECULAR WEIGHT: 244.28574
SMILES: CC1=CCC[C@]2(C1=CC(=O)O[C@H]2C3=COC=C3)C
Structure:
CAS RN: 52667-77-3
CAS Name: sodium 2-[dodecyl(dimethyl)ammonio]acetate hydroxide
OPENEYE Name: sodium 2-[dodecyl(dimethyl)ammonio]acetate hydroxide
IUPAC Name: sodium 2-[dodecyl(dimethyl)azaniumyl]acetate hydroxide
SYSTEMATIC NAME: sodium 2-[dodecyl(dimethyl)azaniumyl]ethanoate hydroxide
MOLECULAR FORMULA: C16H34NNaO3
MOLECULAR WEIGHT: 311.43583
SMILES: CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-].[OH-].[Na+]
Structure:
CAS RN: 56289-76-0
CAS Name: 1,1-dibromocyclohexane
OPENEYE Name: 1,1-dibromocyclohexane
IUPAC Name: 1,1-dibromocyclohexane
SYSTEMATIC NAME: 1,1-bis(bromanyl)cyclohexane
MOLECULAR FORMULA: C6H10Br2
MOLECULAR WEIGHT: 241.9516
SMILES: C1CCC(CC1)(Br)Br
Structure:
CAS RN: 35223-32-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H29NO7
MOLECULAR WEIGHT: 395.44676
SMILES: CC[C@]1(C[C@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)OC(=O)C)C)O
Structure:
CAS RN: 35143-94-3
CAS Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-[(4-hydroxy-1-naphthalenyl)oxy]-3-(propan-2-ylamino)propan-2-yl]oxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-[(4-hydroxy-1-naphthyl)oxymethyl]-2-(isopropylamino)ethoxy]tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(4-hydroxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-yl]oxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-[1-(4-oxidanylnaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-yl]oxy-oxane-2-carboxylic acid
MOLECULAR FORMULA: C22H29NO9
MOLECULAR WEIGHT: 451.46696
SMILES: CC(C)NCC(COC1=CC=C(C2=CC=CC=C21)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
Structure:
CAS RN: 35132-83-3
CAS Name: (10-ethyl-9-anthracenyl)methanol
OPENEYE Name: (10-ethyl-9-anthryl)methanol
IUPAC Name: (10-ethylanthracen-9-yl)methanol
SYSTEMATIC NAME: (10-ethylanthracen-9-yl)methanol
MOLECULAR FORMULA: C17H16O
MOLECULAR WEIGHT: 236.30834
SMILES: CCC1=C2C=CC=CC2=C(C3=CC=CC=C31)CO
Structure:
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