CAS RN: 3510-48-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H34O7
MOLECULAR WEIGHT: 458.54396
SMILES: CC1=C2[C@@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@]5([C@H](C[C@H]([C@@]6([C@@H]5[C@H]4OC6)C)O)O)C)CC(=O)O)C
Structure:
CAS RN: 35041-91-9
CAS Name: 1,2,3-trichloro-4,5-difluorobenzene
OPENEYE Name: 1,2,3-trichloro-4,5-difluoro-benzene
IUPAC Name: 1,2,3-trichloro-4,5-difluorobenzene
SYSTEMATIC NAME: 1,2,3-tris(chloranyl)-4,5-bis(fluoranyl)benzene
MOLECULAR FORMULA: C6HCl3F2
MOLECULAR WEIGHT: 217.427946
SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)F)F
Structure:
CAS RN: 3458-28-4
CAS Name: (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
OPENEYE Name: (2S,3S,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol
IUPAC Name: (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C6H12O6
MOLECULAR WEIGHT: 180.15588
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
Structure:
CAS RN: 29696-75-1
CAS Name: (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
OPENEYE Name: (2S,3S,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol
IUPAC Name: (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C6H12O6
MOLECULAR WEIGHT: 180.15588
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
Structure:
CAS RN: 29666-53-3
CAS Name: 2,3,5-tribromo-6-methylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,3,5-tribromo-6-methyl-1,4-benzoquinone
IUPAC Name: 2,3,5-tribromo-6-methylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3,5-tris(bromanyl)-6-methyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C7H3Br3O2
MOLECULAR WEIGHT: 358.80952
SMILES: CC1=C(C(=O)C(=C(C1=O)Br)Br)Br
Structure:
CAS RN: 29632-74-4
CAS Name: 2-fluoro-4-iodoaniline
OPENEYE Name: 2-fluoro-4-iodo-aniline
IUPAC Name: 2-fluoro-4-iodoaniline
SYSTEMATIC NAME: 2-fluoranyl-4-iodanyl-aniline
MOLECULAR FORMULA: C6H5FIN
MOLECULAR WEIGHT: 237.013473
SMILES: C1=CC(=C(C=C1I)F)N
Structure:
CAS RN: 34915-55-4
CAS Name: 2-(3,4,5-trihydroxyphenyl)acetic acid
OPENEYE Name: 2-(3,4,5-trihydroxyphenyl)acetic acid
IUPAC Name: 2-(3,4,5-trihydroxyphenyl)acetic acid
SYSTEMATIC NAME: 2-[3,4,5-tris(oxidanyl)phenyl]ethanoic acid
MOLECULAR FORMULA: C8H8O5
MOLECULAR WEIGHT: 184.14612
SMILES: C1=C(C=C(C(=C1O)O)O)CC(=O)O
Structure:
CAS RN: 3489-84-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H39N5O5
MOLECULAR WEIGHT: 561.67186
SMILES: CC[C@@]1(C(=O)N2[C@@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC(C)C)NC(=O)[C@H]4CN([C@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C
Structure:
CAS RN: 34896-18-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H37N5O5
MOLECULAR WEIGHT: 547.64528
SMILES: CC[C@@]1(C(=O)N2[C@@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)C(C)C)NC(=O)[C@H]4CN([C@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C
Structure:
CAS RN: 29262-58-6
CAS Name: 2-(methylamino)-2-oxoacetic acid
OPENEYE Name: 2-(methylamino)-2-oxo-acetic acid
IUPAC Name: 2-(methylamino)-2-oxoacetic acid
SYSTEMATIC NAME: 2-(methylamino)-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C3H5NO3
MOLECULAR WEIGHT: 103.0767
SMILES: CNC(=O)C(=O)O
Structure:
CAS RN: 34763-54-7
CAS Name: 2-(methylamino)-2-oxoacetic acid
OPENEYE Name: 2-(methylamino)-2-oxo-acetic acid
IUPAC Name: 2-(methylamino)-2-oxoacetic acid
SYSTEMATIC NAME: 2-(methylamino)-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C3H5NO3
MOLECULAR WEIGHT: 103.0767
SMILES: CNC(=O)C(=O)O
Structure:
CAS RN: 29212-67-7
CAS Name: 2-furanamine
OPENEYE Name: furan-2-amine
IUPAC Name: furan-2-amine
SYSTEMATIC NAME: furan-2-amine
MOLECULAR FORMULA: C4H5NO
MOLECULAR WEIGHT: 83.0886
SMILES: C1=COC(=C1)N
Structure:
CAS RN: 34698-71-0
CAS Name: 3-[2,4,7-trioxo-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1H-pteridin-6-yl]propanoic acid
OPENEYE Name: 3-[2,4,7-trioxo-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1H-pteridin-6-yl]propanoic acid
IUPAC Name: 3-[2,4,7-trioxo-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1H-pteridin-6-yl]propanoic acid
SYSTEMATIC NAME: 3-[2,4,7-tris(oxidanylidene)-8-[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]-1H-pteridin-6-yl]propanoic acid
MOLECULAR FORMULA: C14H18N4O9
MOLECULAR WEIGHT: 386.31412
SMILES: C(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O
Structure:
CAS RN: 29043-96-7
CAS Name: 3'-methylene-2'-spiro[2,3-dihydro-1H-naphthalene-4,5'-oxolane]one
OPENEYE Name: 3-methylenespiro[tetrahydrofuran-5,1'-tetralin]-2-one
IUPAC Name: 3'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-oxolane]-2'-one
SYSTEMATIC NAME: 3'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-oxolane]-2'-one
MOLECULAR FORMULA: C14H14O2
MOLECULAR WEIGHT: 214.25976
SMILES: C=C1CC2(CCCC3=CC=CC=C32)OC1=O
Structure:
CAS RN: 29043-07-0
CAS Name: 5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
IUPAC Name: 5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
MOLECULAR FORMULA: C21H22O8
MOLECULAR WEIGHT: 402.39458
SMILES: COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC
Structure:
CAS RN: 34583-34-1
CAS Name: 5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
IUPAC Name: 5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
MOLECULAR FORMULA: C21H22O8
MOLECULAR WEIGHT: 402.39458
SMILES: COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC
Structure:
CAS RN: 3449-26-1
CAS Name: (3R,4R)-3,4-dimethylhexane-2,5-dione
OPENEYE Name: (3R,4R)-3,4-dimethylhexane-2,5-dione
IUPAC Name: (3R,4R)-3,4-dimethylhexane-2,5-dione
SYSTEMATIC NAME: (3R,4R)-3,4-dimethylhexane-2,5-dione
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: C[C@H]([C@@H](C)C(=O)C)C(=O)C
Structure:
CAS RN: 34471-97-1
CAS Name: (1S,2S,3R,4R)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
OPENEYE Name: (1S,2S,3R,4R)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
IUPAC Name: (1S,2S,3R,4R)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SYSTEMATIC NAME: (1S,2S,3R,4R)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
MOLECULAR FORMULA: C10H14O5
MOLECULAR WEIGHT: 214.21516
SMILES: C[C@@]1([C@H]2CC[C@@H]([C@@]1(C)C(=O)O)O2)C(=O)O
Structure:
CAS RN: 34367-37-8
CAS Name: 1,2-dichloro-3,4-dimethylbenzene
OPENEYE Name: 1,2-dichloro-3,4-dimethyl-benzene
IUPAC Name: 1,2-dichloro-3,4-dimethylbenzene
SYSTEMATIC NAME: 1,2-bis(chloranyl)-3,4-dimethyl-benzene
MOLECULAR FORMULA: C8H8Cl2
MOLECULAR WEIGHT: 175.05512
SMILES: CC1=C(C(=C(C=C1)Cl)Cl)C
Structure:
CAS RN: 34362-27-1
CAS Name: (6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c][1]benzopyran-1-ol
OPENEYE Name: (6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
IUPAC Name: (6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
SYSTEMATIC NAME: (6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
MOLECULAR FORMULA: C21H30O3
MOLECULAR WEIGHT: 330.4611
SMILES: CCCCCC1=CC2=C([C@@H]3CC(=CC[C@H]3C(O2)(C)C)CO)C(=C1)O
Structure:
CAS RN: 34346-98-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H12O7
MOLECULAR WEIGHT: 352.29438
SMILES: C1[C@@H]2[C@](C3=CC4=C(C=C3O1)OCO4)(C(=O)C5=C(O2)C=C6C(=C5)C=CO6)O
Structure:
CAS RN: 28606-06-6
CAS Name: 1,1,2-trifluoroethanol
OPENEYE Name: 1,1,2-trifluoroethanol
IUPAC Name: 1,1,2-trifluoroethanol
SYSTEMATIC NAME: 1,1,2-tris(fluoranyl)ethanol
MOLECULAR FORMULA: C2H3F3O
MOLECULAR WEIGHT: 100.03983
SMILES: C(C(O)(F)F)F
Structure:
CAS RN: 343-25-9
CAS Name: (2S)-5-hydroxy-2-(4-methoxyphenyl)-7-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: (2S)-5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one
IUPAC Name: (2S)-5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: (2S)-7-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-methoxyphenyl)-5-oxidanyl-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C22H24O10
MOLECULAR WEIGHT: 448.41996
SMILES: COC1=CC=C(C=C1)[C@@H]2CC(=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
Structure:
No comments:
Post a Comment