CAS RN: 50614-82-9
CAS Name: 1-(3-methylbut-2-enyl)indole
OPENEYE Name: 1-(3-methylbut-2-enyl)indole
IUPAC Name: 1-(3-methylbut-2-enyl)indole
SYSTEMATIC NAME: 1-(3-methylbut-2-enyl)indole
MOLECULAR FORMULA: C13H15N
MOLECULAR WEIGHT: 185.2649
SMILES: CC(=CCN1C=CC2=CC=CC=C21)C
Structure:
CAS RN: 50608-12-3
CAS Name: 5-tert-butyl-N-methyl-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-tert-butyl-N-methyl-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-tert-butyl-N-methyl-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-tert-butyl-N-methyl-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C7H13N3S
MOLECULAR WEIGHT: 171.26322
SMILES: CC(C)(C)C1=NN=C(S1)NC
Structure:
CAS RN: 50606-97-8
CAS Name: 4-octylbenzoyl chloride
OPENEYE Name: 4-octylbenzoyl chloride
IUPAC Name: 4-octylbenzoyl chloride
SYSTEMATIC NAME: 4-octylbenzoyl chloride
MOLECULAR FORMULA: C15H21ClO
MOLECULAR WEIGHT: 252.77964
SMILES: CCCCCCCCC1=CC=C(C=C1)C(=O)Cl
Structure:
CAS RN: 50606-96-7
CAS Name: 4-heptylbenzoyl chloride
OPENEYE Name: 4-heptylbenzoyl chloride
IUPAC Name: 4-heptylbenzoyl chloride
SYSTEMATIC NAME: 4-heptylbenzoyl chloride
MOLECULAR FORMULA: C14H19ClO
MOLECULAR WEIGHT: 238.75306
SMILES: CCCCCCCC1=CC=C(C=C1)C(=O)Cl
Structure:
CAS RN: 50606-95-6
CAS Name: 4-hexylbenzoyl chloride
OPENEYE Name: 4-hexylbenzoyl chloride
IUPAC Name: 4-hexylbenzoyl chloride
SYSTEMATIC NAME: 4-hexylbenzoyl chloride
MOLECULAR FORMULA: C13H17ClO
MOLECULAR WEIGHT: 224.72648
SMILES: CCCCCCC1=CC=C(C=C1)C(=O)Cl
Structure:
CAS RN: 50601-47-3
CAS Name: 2-methyl-2-propenoic acid 2,2,2-trichloroethyl ester
OPENEYE Name: 2,2,2-trichloroethyl 2-methylprop-2-enoate
IUPAC Name: 2,2,2-trichloroethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)ethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C6H7Cl3O2
MOLECULAR WEIGHT: 217.47758
SMILES: CC(=C)C(=O)OCC(Cl)(Cl)Cl
Structure:
CAS RN: 50601-48-4
CAS Name: 2-methyl-2-propenoic acid 2,2,2-trichloroethyl ester
OPENEYE Name: 2,2,2-trichloroethyl 2-methylprop-2-enoate
IUPAC Name: 2,2,2-trichloroethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)ethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C6H7Cl3O2
MOLECULAR WEIGHT: 217.47758
SMILES: CC(=C)C(=O)OCC(Cl)(Cl)Cl
Structure:
CAS RN: 50598-29-3
CAS Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(phenylmethyl)-1-octanesulfonamide
OPENEYE Name: N-benzyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-octane-1-sulfonamide
IUPAC Name: N-benzyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)-N-(phenylmethyl)octane-1-sulfonamide
MOLECULAR FORMULA: C15H8F17NO2S
MOLECULAR WEIGHT: 589.267374
SMILES: C1=CC=C(C=C1)CNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 50594-49-5
CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]propanoic acid ethyl ester
OPENEYE Name: ethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]propanoate
IUPAC Name: ethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]propanoate
SYSTEMATIC NAME: ethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]propanoate
MOLECULAR FORMULA: C18H15ClF3NO6
MOLECULAR WEIGHT: 433.76301
SMILES: CCOC(=O)C(C)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
Structure:
CAS RN: 50563-55-8
CAS Name: N-(2-methoxyethyl)-2,6-dimethylaniline
OPENEYE Name: N-(2-methoxyethyl)-2,6-dimethyl-aniline
IUPAC Name: N-(2-methoxyethyl)-2,6-dimethylaniline
SYSTEMATIC NAME: N-(2-methoxyethyl)-2,6-dimethyl-aniline
MOLECULAR FORMULA: C11H17NO
MOLECULAR WEIGHT: 179.25878
SMILES: CC1=C(C(=CC=C1)C)NCCOC
Structure:
CAS RN: 50553-14-5
CAS Name: 2,3-dibromobutanal
OPENEYE Name: 2,3-dibromobutanal
IUPAC Name: 2,3-dibromobutanal
SYSTEMATIC NAME: 2,3-bis(bromanyl)butanal
MOLECULAR FORMULA: C4H6Br2O
MOLECULAR WEIGHT: 229.89784
SMILES: CC(C(C=O)Br)Br
Structure:
CAS RN: 168278-04-4
CAS Name: 2,5-dibutoxy-4-(4-morpholinyl)benzenediazonium tetrafluoroborate
OPENEYE Name: 2,5-dibutoxy-4-morpholino-benzenediazonium tetrafluoroborate
IUPAC Name: 2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate
SYSTEMATIC NAME: 2,5-dibutoxy-4-morpholin-4-yl-benzenediazonium tetrafluoroborate
MOLECULAR FORMULA: C18H28BF4N3O3
MOLECULAR WEIGHT: 421.237833
SMILES: [B-](F)(F)(F)F.CCCCOC1=CC(=C(C=C1[N+]#N)OCCCC)N2CCOCC2
Structure:
CAS RN: 50543-78-7
CAS Name: 2,5-dibutoxy-4-(4-morpholinyl)benzenediazonium tetrafluoroborate
OPENEYE Name: 2,5-dibutoxy-4-morpholino-benzenediazonium tetrafluoroborate
IUPAC Name: 2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate
SYSTEMATIC NAME: 2,5-dibutoxy-4-morpholin-4-yl-benzenediazonium tetrafluoroborate
MOLECULAR FORMULA: C18H28BF4N3O3
MOLECULAR WEIGHT: 421.237833
SMILES: [B-](F)(F)(F)F.CCCCOC1=CC(=C(C=C1[N+]#N)OCCCC)N2CCOCC2
Structure:
CAS RN: 89147-30-8
CAS Name: 2,5-dibutoxy-4-(4-morpholinyl)benzenediazonium tetrafluoroborate
OPENEYE Name: 2,5-dibutoxy-4-morpholino-benzenediazonium tetrafluoroborate
IUPAC Name: 2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate
SYSTEMATIC NAME: 2,5-dibutoxy-4-morpholin-4-yl-benzenediazonium tetrafluoroborate
MOLECULAR FORMULA: C18H28BF4N3O3
MOLECULAR WEIGHT: 421.237833
SMILES: [B-](F)(F)(F)F.CCCCOC1=CC(=C(C=C1[N+]#N)OCCCC)N2CCOCC2
Structure:
CAS RN: 92880-60-9
CAS Name: 2,5-dibutoxy-4-(4-morpholinyl)benzenediazonium tetrafluoroborate
OPENEYE Name: 2,5-dibutoxy-4-morpholino-benzenediazonium tetrafluoroborate
IUPAC Name: 2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate
SYSTEMATIC NAME: 2,5-dibutoxy-4-morpholin-4-yl-benzenediazonium tetrafluoroborate
MOLECULAR FORMULA: C18H28BF4N3O3
MOLECULAR WEIGHT: 421.237833
SMILES: [B-](F)(F)(F)F.CCCCOC1=CC(=C(C=C1[N+]#N)OCCCC)N2CCOCC2
Structure:
CAS RN: 50526-53-9
CAS Name: 1,1-dimethyl-3,4,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[h][2]benzopyran
OPENEYE Name: 1,1-dimethyl-3,4,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[h]isochromene
IUPAC Name: 1,1-dimethyl-3,4,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[h]isochromene
SYSTEMATIC NAME: 1,1-dimethyl-3,4,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[h]isochromene
MOLECULAR FORMULA: C15H26O
MOLECULAR WEIGHT: 222.36634
SMILES: CC1(C2C(CCC3C2CCCC3)CCO1)C
Structure:
CAS RN: 50526-52-8
CAS Name: 1,1-dimethyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydrobenzo[g][2]benzopyran
OPENEYE Name: 1,1-dimethyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydrobenzo[g]isochromene
IUPAC Name: 1,1-dimethyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydrobenzo[g]isochromene
SYSTEMATIC NAME: 1,1-dimethyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydrobenzo[g]isochromene
MOLECULAR FORMULA: C15H26O
MOLECULAR WEIGHT: 222.36634
SMILES: CC1(C2CC3CCCCC3CC2CCO1)C
Structure:
CAS RN: 119046-35-4
CAS Name: cobalt(3+); hydron; 1-(2-oxido-5-sulfamoylphenyl)azo-2-naphthalenolate
OPENEYE Name: cobaltic; hydron; 1-(2-oxido-5-sulfamoyl-phenyl)azonaphthalen-2-olate
IUPAC Name: cobalt(3+); hydron; 1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate
SYSTEMATIC NAME: cobalt(3+); hydron; 1-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]naphthalen-2-olate
MOLECULAR FORMULA: C32H23CoN6O8S2
MOLECULAR WEIGHT: 742.62362
SMILES: [H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-])[O-].[Co+3]
Structure:
CAS RN: 19587-70-3
CAS Name: cobalt(3+); hydron; 1-(2-oxido-5-sulfamoylphenyl)azo-2-naphthalenolate
OPENEYE Name: cobaltic; hydron; 1-(2-oxido-5-sulfamoyl-phenyl)azonaphthalen-2-olate
IUPAC Name: cobalt(3+); hydron; 1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate
SYSTEMATIC NAME: cobalt(3+); hydron; 1-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]naphthalen-2-olate
MOLECULAR FORMULA: C32H23CoN6O8S2
MOLECULAR WEIGHT: 742.62362
SMILES: [H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-])[O-].[Co+3]
Structure:
CAS RN: 226924-49-8
CAS Name: cobalt(3+); hydron; 1-(2-oxido-5-sulfamoylphenyl)azo-2-naphthalenolate
OPENEYE Name: cobaltic; hydron; 1-(2-oxido-5-sulfamoyl-phenyl)azonaphthalen-2-olate
IUPAC Name: cobalt(3+); hydron; 1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate
SYSTEMATIC NAME: cobalt(3+); hydron; 1-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]naphthalen-2-olate
MOLECULAR FORMULA: C32H23CoN6O8S2
MOLECULAR WEIGHT: 742.62362
SMILES: [H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-])[O-].[Co+3]
Structure:
CAS RN: 50525-57-0
CAS Name: cobalt(3+); hydron; 1-(2-oxido-5-sulfamoylphenyl)azo-2-naphthalenolate
OPENEYE Name: cobaltic; hydron; 1-(2-oxido-5-sulfamoyl-phenyl)azonaphthalen-2-olate
IUPAC Name: cobalt(3+); hydron; 1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate
SYSTEMATIC NAME: cobalt(3+); hydron; 1-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]naphthalen-2-olate
MOLECULAR FORMULA: C32H23CoN6O8S2
MOLECULAR WEIGHT: 742.62362
SMILES: [H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-])[O-].[Co+3]
Structure:
CAS RN: 61901-42-6
CAS Name: cobalt(3+); hydron; 1-(2-oxido-5-sulfamoylphenyl)azo-2-naphthalenolate
OPENEYE Name: cobaltic; hydron; 1-(2-oxido-5-sulfamoyl-phenyl)azonaphthalen-2-olate
IUPAC Name: cobalt(3+); hydron; 1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate
SYSTEMATIC NAME: cobalt(3+); hydron; 1-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]naphthalen-2-olate
MOLECULAR FORMULA: C32H23CoN6O8S2
MOLECULAR WEIGHT: 742.62362
SMILES: [H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-])[O-].[Co+3]
Structure:
CAS RN: 50515-31-6
CAS Name: dysprosium-159; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
OPENEYE Name: dysprosium-159; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
IUPAC Name: dysprosium-159; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
SYSTEMATIC NAME: dysprosium-159; (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoate
MOLECULAR FORMULA: C6H11DyO7-
MOLECULAR WEIGHT: 354.073076
SMILES: C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[159Dy]
Structure:
CAS RN: 50515-28-1
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; iron-59(3+)
OPENEYE Name: iron-59(3+) citrate
IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; iron-59(3+)
SYSTEMATIC NAME: iron-59(3+); 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C6H5FeO7
MOLECULAR WEIGHT: 248.034581
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[59Fe+3]
Structure:
CAS RN: 50498-74-3
CAS Name: 3-ethyl-2,4-dimethylthiazol-3-ium; 4-methylbenzenesulfonate
OPENEYE Name: 3-ethyl-2,4-dimethyl-thiazol-3-ium; 4-methylbenzenesulfonate
IUPAC Name: 3-ethyl-2,4-dimethyl-1,3-thiazol-3-ium; 4-methylbenzenesulfonate
SYSTEMATIC NAME: 3-ethyl-2,4-dimethyl-1,3-thiazol-3-ium; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C14H19NO3S2
MOLECULAR WEIGHT: 313.43556
SMILES: CC[N+]1=C(SC=C1C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 50495-13-1
CAS Name: disodium palladium(2+) tetrabromide
OPENEYE Name: disodium palladium(2+) tetrabromide
IUPAC Name: disodium palladium(2+) tetrabromide
SYSTEMATIC NAME: disodium palladium(2+) tetrabromide
MOLECULAR FORMULA: Br4Na2Pd
MOLECULAR WEIGHT: 472.01554
SMILES: [Na+].[Na+].[Br-].[Br-].[Br-].[Br-].[Pd+2]
Structure:
CAS RN: 50484-98-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26BrN3O
MOLECULAR WEIGHT: 416.35464
SMILES: CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=C(N(C4=CC=CC(=C34)C2=C1)C)Br)C
Structure:
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