Test
CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO
CAS | 57-48-7 |
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Molecular Weight (g/mol) | 180.16 |
SMILES | OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO |
IUPAC Name | (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
InChI Key | BJHIKXHVCXFQLS-UYFOZJQFSA-N |
Molecular Formula | C6H12O6 |
CAS: 31677-93-7 Molecular Formula: C13H19Cl2NO Molecular Weight (g/mol): 276.20 InChI Key: HEYVINCGKDONRU-UHFFFAOYNA-N IUPAC Name: hydrogen 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one chloride SMILES: [H+].[Cl-].CC(NC(C)(C)C)C(=O)C1=CC=CC(Cl)=C1
CAS | 31677-93-7 |
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Molecular Weight (g/mol) | 276.20 |
SMILES | [H+].[Cl-].CC(NC(C)(C)C)C(=O)C1=CC=CC(Cl)=C1 |
IUPAC Name | hydrogen 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one chloride |
InChI Key | HEYVINCGKDONRU-UHFFFAOYNA-N |
Molecular Formula | C13H19Cl2NO |
CAS: 2392-39-4 Molecular Formula: C22H28FNa2O8P Molecular Weight (g/mol): 516.41 InChI Key: PLCQGRYPOISRTQ-FCJDYXGNSA-L IUPAC Name: disodium (1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1-[2-(phosphonatooxy)acetyl]-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one SMILES: [Na+].[Na+].C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP([O-])([O-])=O
CAS | 2392-39-4 |
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Molecular Weight (g/mol) | 516.41 |
SMILES | [Na+].[Na+].C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP([O-])([O-])=O |
IUPAC Name | disodium (1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1-[2-(phosphonatooxy)acetyl]-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one |
InChI Key | PLCQGRYPOISRTQ-FCJDYXGNSA-L |
Molecular Formula | C22H28FNa2O8P |
CAS: 52-86-8 Molecular Formula: C21H23ClFNO2 Molecular Weight (g/mol): 375.87 MDL Number: MFCD00051423 InChI Key: LNEPOXFFQSENCJ-UHFFFAOYSA-N IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one SMILES: OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1
CAS | 52-86-8 |
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Molecular Weight (g/mol) | 375.87 |
MDL Number | MFCD00051423 |
SMILES | OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 |
IUPAC Name | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one |
InChI Key | LNEPOXFFQSENCJ-UHFFFAOYSA-N |
Molecular Formula | C21H23ClFNO2 |