CAS RN: 75881-23-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C56H68Cl4CuN16S4
MOLECULAR WEIGHT: 1298.86432
SMILES: CN(C)C(=[N+](C)C)SCC1=CC2=C(C=C1)C3=NC4=NC(=NC5=C6C=C(C=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)CSC(=[N+](C)C)N(C)C)C(=N7)N=C2[N-]3)CSC(=[N+](C)C)N(C)C)C9=C4C=C(C=C9)CSC(=[N+](C)C)N(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Cu+2]
Structure:
CAS RN: 12040-44-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C56H68Cl4CuN16S4
MOLECULAR WEIGHT: 1298.86432
SMILES: CN(C)C(=[N+](C)C)SCC1=CC2=C(C=C1)C3=NC4=NC(=NC5=C6C=C(C=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)CSC(=[N+](C)C)N(C)C)C(=N7)N=C2[N-]3)CSC(=[N+](C)C)N(C)C)C9=C4C=C(C=C9)CSC(=[N+](C)C)N(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Cu+2]
Structure:
CAS RN: 12227-90-6
CAS Name: potassium; iron(2+); iron(3+); hexacyanide
OPENEYE Name: ferric ferrous potassium hexacyanide
IUPAC Name: potassium; iron(2+); iron(3+); hexacyanide
SYSTEMATIC NAME: potassium; iron(2+); iron(3+); hexacyanide
MOLECULAR FORMULA: C6Fe2KN6
MOLECULAR WEIGHT: 306.8927
SMILES: [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[Fe+2].[Fe+3]
Structure:
CAS RN: 12240-15-2
CAS Name: potassium; iron(2+); iron(3+); hexacyanide
OPENEYE Name: ferric ferrous potassium hexacyanide
IUPAC Name: potassium; iron(2+); iron(3+); hexacyanide
SYSTEMATIC NAME: potassium; iron(2+); iron(3+); hexacyanide
MOLECULAR FORMULA: C6Fe2KN6
MOLECULAR WEIGHT: 306.8927
SMILES: [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[Fe+2].[Fe+3]
Structure:
CAS RN: 82197-54-4
CAS Name: potassium; iron(2+); iron(3+); hexacyanide
OPENEYE Name: ferric ferrous potassium hexacyanide
IUPAC Name: potassium; iron(2+); iron(3+); hexacyanide
SYSTEMATIC NAME: potassium; iron(2+); iron(3+); hexacyanide
MOLECULAR FORMULA: C6Fe2KN6
MOLECULAR WEIGHT: 306.8927
SMILES: [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[Fe+2].[Fe+3]
Structure:
CAS RN: 192003-02-4
CAS Name: (3S)-3,7-diaminoheptanoic acid dihydrochloride
OPENEYE Name: (3S)-3,7-diaminoheptanoic acid dihydrochloride
IUPAC Name: (3S)-3,7-diaminoheptanoic acid dihydrochloride
SYSTEMATIC NAME: (3S)-3,7-bis(azanyl)heptanoic acid dihydrochloride
MOLECULAR FORMULA: C7H18Cl2N2O2
MOLECULAR WEIGHT: 233.13602
SMILES: C(CCN)C[C@@H](CC(=O)O)N.Cl.Cl
Structure:
CAS RN: 37264-79-2
CAS Name: (6S)-2-(hydroxymethyl)-6-[[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]oxane-3,4,5-triol
OPENEYE Name: (6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol
IUPAC Name: (6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: (6S)-2-(hydroxymethyl)-6-[(3S)-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C12H22O11
MOLECULAR WEIGHT: 342.29648
SMILES: C(C1[C@H](C(C(C(O1)O)O)O)O[C@H]2C(C(C(C(O2)CO)O)O)O)O
Structure:
CAS RN: 83382-88-1
CAS Name: (6S)-2-(hydroxymethyl)-6-[[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]oxane-3,4,5-triol
OPENEYE Name: (6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol
IUPAC Name: (6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: (6S)-2-(hydroxymethyl)-6-[(3S)-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C12H22O11
MOLECULAR WEIGHT: 342.29648
SMILES: C(C1[C@H](C(C(C(O1)O)O)O)O[C@H]2C(C(C(C(O2)CO)O)O)O)O
Structure:
CAS RN: 9013-34-7
CAS Name: (6S)-2-(hydroxymethyl)-6-[[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]oxane-3,4,5-triol
OPENEYE Name: (6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol
IUPAC Name: (6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: (6S)-2-(hydroxymethyl)-6-[(3S)-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C12H22O11
MOLECULAR WEIGHT: 342.29648
SMILES: C(C1[C@H](C(C(C(O1)O)O)O)O[C@H]2C(C(C(C(O2)CO)O)O)O)O
Structure:
CAS RN: 9013-37-0
CAS Name: (6S)-2-(hydroxymethyl)-6-[[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]oxane-3,4,5-triol
OPENEYE Name: (6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol
IUPAC Name: (6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: (6S)-2-(hydroxymethyl)-6-[(3S)-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C12H22O11
MOLECULAR WEIGHT: 342.29648
SMILES: C(C1[C@H](C(C(C(O1)O)O)O)O[C@H]2C(C(C(C(O2)CO)O)O)O)O
Structure:
CAS RN: 9050-87-7
CAS Name: (6S)-2-(hydroxymethyl)-6-[[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]oxane-3,4,5-triol
OPENEYE Name: (6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol
IUPAC Name: (6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: (6S)-2-(hydroxymethyl)-6-[(3S)-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C12H22O11
MOLECULAR WEIGHT: 342.29648
SMILES: C(C1[C@H](C(C(C(O1)O)O)O)O[C@H]2C(C(C(C(O2)CO)O)O)O)O
Structure:
CAS RN: 60459-08-7
CAS Name: cobalt(2+) sulfate hydrate
OPENEYE Name: cobaltous sulfate hydrate
IUPAC Name: cobalt(2+) sulfate hydrate
SYSTEMATIC NAME: cobalt(2+) sulfate hydrate
MOLECULAR FORMULA: CoH2O5S
MOLECULAR WEIGHT: 173.01108
SMILES: O.[O-]S(=O)(=O)[O-].[Co+2]
Structure:
CAS RN: 354548-73-5
CAS Name: 3-bromo-2-imidazo[1,2-a]pyridinecarboxylic acid
OPENEYE Name: 3-bromoimidazo[1,2-a]pyridine-2-carboxylic acid
IUPAC Name: 3-bromoimidazo[1,2-a]pyridine-2-carboxylic acid
SYSTEMATIC NAME: 3-bromanylimidazo[1,2-a]pyridine-2-carboxylic acid
MOLECULAR FORMULA: C8H5BrN2O2
MOLECULAR WEIGHT: 241.0415
SMILES: C1=CC2=NC(=C(N2C=C1)Br)C(=O)O
Structure:
CAS RN: 354548-08-6
CAS Name: 6-bromo-2-imidazo[1,2-a]pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
IUPAC Name: methyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
SYSTEMATIC NAME: methyl 6-bromanylimidazo[1,2-a]pyridine-2-carboxylate
MOLECULAR FORMULA: C9H7BrN2O2
MOLECULAR WEIGHT: 255.06808
SMILES: COC(=O)C1=CN2C=C(C=CC2=N1)Br
Structure:
CAS RN: 224961-34-6
CAS Name: 2-[[4-[oxo-(1-phenylpropylamino)methyl]-2-phenyl-3-quinolinyl]oxy]acetic acid
OPENEYE Name: 2-[[2-phenyl-4-(1-phenylpropylcarbamoyl)-3-quinolyl]oxy]acetic acid
IUPAC Name: 2-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]oxyacetic acid
SYSTEMATIC NAME: 2-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]oxyethanoic acid
MOLECULAR FORMULA: C27H24N2O4
MOLECULAR WEIGHT: 440.49046
SMILES: CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)OCC(=O)O
Structure:
CAS RN: 77113-85-0
CAS Name: 1-(4-fluorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
OPENEYE Name: 1-(4-fluorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
IUPAC Name: 1-(4-fluorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
SYSTEMATIC NAME: 1-(4-fluorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
MOLECULAR FORMULA: C11H15ClFN5
MOLECULAR WEIGHT: 271.721703
SMILES: CC1(N=C(N=C(N1C2=CC=C(C=C2)F)N)N)C.Cl
Structure:
CAS RN: 17711-81-8
CAS Name: 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
OPENEYE Name: 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
IUPAC Name: 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
MOLECULAR FORMULA: C11H14Cl3N5
MOLECULAR WEIGHT: 322.62136
SMILES: CC1(N=C(N=C(N1C2=CC(=C(C=C2)Cl)Cl)N)N)C.Cl
Structure:
CAS RN: 6272-95-3
CAS Name: 6-ethoxy-7-methoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium chloride
OPENEYE Name: 6-ethoxy-7-methoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium chloride
IUPAC Name: 6-ethoxy-7-methoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium chloride
SYSTEMATIC NAME: 6-ethoxy-7-methoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium chloride
MOLECULAR FORMULA: C14H20ClNO2
MOLECULAR WEIGHT: 269.7671
SMILES: CCOC1=C(C=C2C(=[N+](CCC2=C1)C)C)OC.[Cl-]
Structure:
CAS RN: 191427-79-9
CAS Name: aluminum calcium hydroxide phosphate
OPENEYE Name: aluminum calcium hydroxide phosphate
IUPAC Name: aluminum calcium hydroxide phosphate
SYSTEMATIC NAME: aluminum calcium hydroxide phosphate
MOLECULAR FORMULA: AlCaHO5P+
MOLECULAR WEIGHT: 179.038239
SMILES: [OH-].[O-]P(=O)([O-])[O-].[Al+3].[Ca+2]
Structure:
CAS RN: 173069-94-8
CAS Name: 2-(2-azetidinyl)-5-methylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(azetidin-2-yl)-5-methyl-1,4-benzoquinone
IUPAC Name: 2-(azetidin-2-yl)-5-methylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-(azetidin-2-yl)-5-methyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: CC1=CC(=O)C(=CC1=O)C2CCN2
Structure:
CAS RN: 173069-93-7
CAS Name: 2-(2-aziridinyl)-5-propylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(aziridin-2-yl)-5-propyl-1,4-benzoquinone
IUPAC Name: 2-(aziridin-2-yl)-5-propylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-(aziridin-2-yl)-5-propyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: CCCC1=CC(=O)C(=CC1=O)C2CN2
Structure:
CAS RN: 173069-92-6
CAS Name: 2-(2-aziridinyl)-5-ethylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(aziridin-2-yl)-5-ethyl-1,4-benzoquinone
IUPAC Name: 2-(aziridin-2-yl)-5-ethylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-(aziridin-2-yl)-5-ethyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: CCC1=CC(=O)C(=CC1=O)C2CN2
Structure:
CAS RN: 173069-91-5
CAS Name: 2-(2-aziridinyl)-3,5-dimethylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(aziridin-2-yl)-3,5-dimethyl-1,4-benzoquinone
IUPAC Name: 2-(aziridin-2-yl)-3,5-dimethylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-(aziridin-2-yl)-3,5-dimethyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: CC1=CC(=O)C(=C(C1=O)C)C2CN2
Structure:
CAS RN: 157801-77-9
CAS Name: phosphoric acid tris(2,3-dibromo-1,1,2,3,3-pentadeuteriopropyl) ester
OPENEYE Name: tris(2,3-dibromo-1,1,2,3,3-pentadeuterio-propyl) phosphate
IUPAC Name: tris(2,3-dibromo-1,1,2,3,3-pentadeuteriopropyl) phosphate
SYSTEMATIC NAME: tris[2,3-bis(bromanyl)-1,1,2,3,3-pentadeuterio-propyl] phosphate
MOLECULAR FORMULA: C9H15Br6O4P
MOLECULAR WEIGHT: 712.703188
SMILES: [2H]C([2H])(C([2H])(C([2H])([2H])Br)Br)OP(=O)(OC([2H])([2H])C([2H])(C([2H])([2H])Br)Br)OC([2H])([2H])C([2H])(C([2H])([2H])Br)Br
Structure:
CAS RN: 150355-01-4
CAS Name: 5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-(5,7-dibromo-2,1,3-benzothiadiazol-4-yl)benzamide
OPENEYE Name: 5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-(5,7-dibromo-2,1,3-benzothiadiazol-4-yl)benzamide
IUPAC Name: 5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-(5,7-dibromo-2,1,3-benzothiadiazol-4-yl)benzamide
SYSTEMATIC NAME: N-[5,7-bis(bromanyl)-2,1,3-benzothiadiazol-4-yl]-5-bromanyl-2-[(4-chlorophenyl)sulfonylamino]benzamide
MOLECULAR FORMULA: C19H10Br3ClN4O3S2
MOLECULAR WEIGHT: 681.6027
SMILES: C1=CC(=CC=C1S(=O)(=O)NC2=C(C=C(C=C2)Br)C(=O)NC3=C(C=C(C4=NSN=C34)Br)Br)Cl
Structure:
CAS RN: 149862-57-7
CAS Name: N-(3-methylbutyl)-2,1-benzothiazol-3-amine
OPENEYE Name: N-isopentyl-2,1-benzothiazol-3-amine
IUPAC Name: N-(3-methylbutyl)-2,1-benzothiazol-3-amine
SYSTEMATIC NAME: N-(3-methylbutyl)-2,1-benzothiazol-3-amine
MOLECULAR FORMULA: C12H16N2S
MOLECULAR WEIGHT: 220.33384
SMILES: CC(C)CCNC1=C2C=CC=CC2=NS1
Structure:
CAS RN: 149862-56-6
CAS Name: N-pentyl-2,1-benzothiazol-3-amine
OPENEYE Name: N-pentyl-2,1-benzothiazol-3-amine
IUPAC Name: N-pentyl-2,1-benzothiazol-3-amine
SYSTEMATIC NAME: N-pentyl-2,1-benzothiazol-3-amine
MOLECULAR FORMULA: C12H16N2S
MOLECULAR WEIGHT: 220.33384
SMILES: CCCCCNC1=C2C=CC=CC2=NS1
Structure:
CAS RN: 149862-55-5
CAS Name: N-butyl-2,1-benzothiazol-3-amine
OPENEYE Name: N-butyl-2,1-benzothiazol-3-amine
IUPAC Name: N-butyl-2,1-benzothiazol-3-amine
SYSTEMATIC NAME: N-butyl-2,1-benzothiazol-3-amine
MOLECULAR FORMULA: C11H14N2S
MOLECULAR WEIGHT: 206.30726
SMILES: CCCCNC1=C2C=CC=CC2=NS1
Structure:
CAS RN: 148193-37-7
CAS Name: 6-amino-1,2-benzothiazol-3-one
OPENEYE Name: 6-amino-1,2-benzothiazol-3-one
IUPAC Name: 6-amino-1,2-benzothiazol-3-one
SYSTEMATIC NAME: 6-azanyl-1,2-benzothiazol-3-one
MOLECULAR FORMULA: C7H6N2OS
MOLECULAR WEIGHT: 166.20034
SMILES: C1=CC2=C(C=C1N)SNC2=O
Structure:
CAS RN: 148174-24-7
CAS Name: 4-chloro-N-[1-(4-chloro-1-oxobutyl)-2,1-benzothiazol-3-ylidene]butanamide
OPENEYE Name: 4-chloro-N-[1-(4-chlorobutanoyl)-2,1-benzothiazol-3-ylidene]butanamide
IUPAC Name: 4-chloro-N-[1-(4-chlorobutanoyl)-2,1-benzothiazol-3-ylidene]butanamide
SYSTEMATIC NAME: 4-chloranyl-N-[1-(4-chloranylbutanoyl)-2,1-benzothiazol-3-ylidene]butanamide
MOLECULAR FORMULA: C15H16Cl2N2O2S
MOLECULAR WEIGHT: 359.27074
SMILES: C1=CC=C2C(=C1)C(=NC(=O)CCCCl)SN2C(=O)CCCCl
Structure:
CAS RN: 148174-23-6
CAS Name: 3-chloro-N-[1-(3-chloro-1-oxopropyl)-2,1-benzothiazol-3-ylidene]propanamide
OPENEYE Name: 3-chloro-N-[1-(3-chloropropanoyl)-2,1-benzothiazol-3-ylidene]propanamide
IUPAC Name: 3-chloro-N-[1-(3-chloropropanoyl)-2,1-benzothiazol-3-ylidene]propanamide
SYSTEMATIC NAME: 3-chloranyl-N-[1-(3-chloranylpropanoyl)-2,1-benzothiazol-3-ylidene]propanamide
MOLECULAR FORMULA: C13H12Cl2N2O2S
MOLECULAR WEIGHT: 331.21758
SMILES: C1=CC=C2C(=C1)C(=NC(=O)CCCl)SN2C(=O)CCCl
Structure:
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