CAS RN: 814-89-1
CAS Name: cobalt; oxalic acid
OPENEYE Name: cobalt; oxalic acid
IUPAC Name: cobalt; oxalic acid
SYSTEMATIC NAME: cobalt; ethanedioic acid
MOLECULAR FORMULA: C2H2CoO4
MOLECULAR WEIGHT: 148.96808
SMILES: C(=O)(C(=O)O)O.[Co]
Structure:
CAS RN: 16039-56-8
CAS Name: 2-hydroxypropanoic acid; manganese
OPENEYE Name: 2-hydroxypropanoic acid; manganese
IUPAC Name: 2-hydroxypropanoic acid; manganese
SYSTEMATIC NAME: manganese; 2-oxidanylpropanoic acid
MOLECULAR FORMULA: C6H12MnO6
MOLECULAR WEIGHT: 235.093929
SMILES: CC(C(=O)O)O.CC(C(=O)O)O.[Mn]
Structure:
CAS RN: 13106-47-3
CAS Name: beryllium; carbonic acid
OPENEYE Name: beryllium; carbonic acid
IUPAC Name: beryllium; carbonic acid
SYSTEMATIC NAME: beryllium; carbonic acid
MOLECULAR FORMULA: CH2BeO3
MOLECULAR WEIGHT: 71.036962
SMILES: [Be].C(=O)(O)O
Structure:
CAS RN: 20807-35-6
CAS Name: N,N-bis(2-chloroethyl)-4-[(3-fluorophenyl)iminomethyl]-2-methoxyaniline hydrochloride
OPENEYE Name: N,N-bis(2-chloroethyl)-4-[(3-fluorophenyl)iminomethyl]-2-methoxy-aniline hydrochloride
IUPAC Name: N,N-bis(2-chloroethyl)-4-[(3-fluorophenyl)iminomethyl]-2-methoxyaniline hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-4-[(3-fluorophenyl)iminomethyl]-2-methoxy-aniline hydrochloride
MOLECULAR FORMULA: C18H20Cl3FN2O
MOLECULAR WEIGHT: 405.721603
SMILES: COC1=C(C=CC(=C1)C=NC2=CC(=CC=C2)F)N(CCCl)CCCl.Cl
Structure:
CAS RN: 2939-07-3
CAS Name: 2,4-dimethylisothiazol-2-ium iodide
OPENEYE Name: 2,4-dimethylisothiazol-2-ium iodide
IUPAC Name: 2,4-dimethyl-1,2-thiazol-2-ium iodide
SYSTEMATIC NAME: 2,4-dimethyl-1,2-thiazol-2-ium iodide
MOLECULAR FORMULA: C5H8INS
MOLECULAR WEIGHT: 241.09319
SMILES: CC1=CS[N+](=C1)C.[I-]
Structure:
CAS RN: 15688-20-7
CAS Name: 2-ethyl-5-phenylisothiazol-2-ium tetrafluoroborate
OPENEYE Name: 2-ethyl-5-phenyl-isothiazol-2-ium tetrafluoroborate
IUPAC Name: 2-ethyl-5-phenyl-1,2-thiazol-2-ium tetrafluoroborate
SYSTEMATIC NAME: 2-ethyl-5-phenyl-1,2-thiazol-2-ium tetrafluoroborate
MOLECULAR FORMULA: C11H12BF4NS
MOLECULAR WEIGHT: 277.089293
SMILES: [B-](F)(F)(F)F.CC[N+]1=CC=C(S1)C2=CC=CC=C2
Structure:
CAS RN: 15714-81-5
CAS Name: 2-ethyl-4-phenylisothiazol-2-ium tetrafluoroborate
OPENEYE Name: 2-ethyl-4-phenyl-isothiazol-2-ium tetrafluoroborate
IUPAC Name: 2-ethyl-4-phenyl-1,2-thiazol-2-ium tetrafluoroborate
SYSTEMATIC NAME: 2-ethyl-4-phenyl-1,2-thiazol-2-ium tetrafluoroborate
MOLECULAR FORMULA: C11H12BF4NS
MOLECULAR WEIGHT: 277.089293
SMILES: [B-](F)(F)(F)F.CC[N+]1=CC(=CS1)C2=CC=CC=C2
Structure:
CAS RN: 15691-96-0
CAS Name: 3-ethylthiadiazol-3-ium tetrafluoroborate
OPENEYE Name: 3-ethylthiadiazol-3-ium tetrafluoroborate
IUPAC Name: 3-ethylthiadiazol-3-ium tetrafluoroborate
SYSTEMATIC NAME: 3-ethyl-1,2,3-thiadiazol-3-ium tetrafluoroborate
MOLECULAR FORMULA: C4H7BF4N2S
MOLECULAR WEIGHT: 201.981393
SMILES: [B-](F)(F)(F)F.CC[N+]1=NSC=C1
Structure:
CAS RN: 13772-09-3
CAS Name: 1-(5-bromo-1-benzothiophen-2-yl)-2-(1-pyrrolidinyl)ethanol chloride
OPENEYE Name: 1-(5-bromobenzothiophen-2-yl)-2-pyrrolidin-1-yl-ethanol chloride
IUPAC Name: 1-(5-bromo-1-benzothiophen-2-yl)-2-pyrrolidin-1-ylethanol chloride
SYSTEMATIC NAME: 1-(5-bromanyl-1-benzothiophen-2-yl)-2-pyrrolidin-1-yl-ethanol chloride
MOLECULAR FORMULA: C14H16BrClNOS-
MOLECULAR WEIGHT: 361.70494
SMILES: C1CCN(C1)CC(C2=CC3=C(S2)C=CC(=C3)Br)O.[Cl-]
Structure:
CAS RN: 19157-96-1
CAS Name: 6,6-dimethyl-1-[3-[3-(3-nitrophenoxy)propoxy]phenyl]-1,3,5-triazine-2,4-diamine chloride
OPENEYE Name: 6,6-dimethyl-1-[3-[3-(3-nitrophenoxy)propoxy]phenyl]-1,3,5-triazine-2,4-diamine chloride
IUPAC Name: 6,6-dimethyl-1-[3-[3-(3-nitrophenoxy)propoxy]phenyl]-1,3,5-triazine-2,4-diamine chloride
SYSTEMATIC NAME: 6,6-dimethyl-1-[3-[3-(3-nitrophenoxy)propoxy]phenyl]-1,3,5-triazine-2,4-diamine chloride
MOLECULAR FORMULA: C20H24ClN6O4-
MOLECULAR WEIGHT: 447.89536
SMILES: CC1(N=C(N=C(N1C2=CC(=CC=C2)OCCCOC3=CC=CC(=C3)[N+](=O)[O-])N)N)C.[Cl-]
Structure:
CAS RN: 19159-83-2
CAS Name: 2-bromo-N-[3-[3-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propoxy]phenyl]acetamide hydrochloride
OPENEYE Name: 2-bromo-N-[3-[3-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propoxy]phenyl]acetamide hydrochloride
IUPAC Name: 2-bromo-N-[3-[3-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propoxy]phenyl]acetamide hydrochloride
SYSTEMATIC NAME: N-[3-[3-[3-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenoxy]propoxy]phenyl]-2-bromanyl-ethanamide hydrochloride
MOLECULAR FORMULA: C22H28BrClN6O3
MOLECULAR WEIGHT: 539.85312
SMILES: CC1(N=C(N=C(N1C2=CC(=CC=C2)OCCCOC3=CC=CC(=C3)NC(=O)CBr)N)N)C.Cl
Structure:
CAS RN: 15830-80-5
CAS Name: 2-(6-amino-8-azido-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(6-amino-8-azido-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(6-amino-8-azidopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(6-azanyl-8-azido-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H12N8O4
MOLECULAR WEIGHT: 308.25348
SMILES: C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)N=[N+]=[N-]
Structure:
CAS RN: 28284-33-5
CAS Name: N,N-bis(2-chloroethyl)-4-[[4-(5-methyl-2-phenyl-4-thiazolyl)phenyl]iminomethyl]aniline hydrochloride
OPENEYE Name: N,N-bis(2-chloroethyl)-4-[[4-(5-methyl-2-phenyl-thiazol-4-yl)phenyl]iminomethyl]aniline hydrochloride
IUPAC Name: N,N-bis(2-chloroethyl)-4-[[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]iminomethyl]aniline hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-4-[[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]iminomethyl]aniline hydrochloride
MOLECULAR FORMULA: C27H26Cl3N3S
MOLECULAR WEIGHT: 530.93944
SMILES: CC1=C(N=C(S1)C2=CC=CC=C2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)N(CCCl)CCCl.Cl
Structure:
CAS RN: 27244-16-2
CAS Name: N,N-bis(2-chloroethyl)-3-methyl-4-[[4-[5-methyl-2-(phenylmethyl)-4-thiazolyl]phenyl]iminomethyl]aniline hydrochloride
OPENEYE Name: 4-[[4-(2-benzyl-5-methyl-thiazol-4-yl)phenyl]iminomethyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline hydrochloride
IUPAC Name: 4-[[4-(2-benzyl-5-methyl-1,3-thiazol-4-yl)phenyl]iminomethyl]-N,N-bis(2-chloroethyl)-3-methylaniline hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-3-methyl-4-[[4-[5-methyl-2-(phenylmethyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]aniline hydrochloride
MOLECULAR FORMULA: C29H30Cl3N3S
MOLECULAR WEIGHT: 558.9926
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=CC=C(C=C2)C3=C(SC(=N3)CC4=CC=CC=C4)C.Cl
Structure:
CAS RN: 27244-15-1
CAS Name: N,N-bis(2-chloroethyl)-4-[[4-[5-methyl-2-(phenylmethyl)-4-thiazolyl]phenyl]iminomethyl]aniline hydrochloride
OPENEYE Name: 4-[[4-(2-benzyl-5-methyl-thiazol-4-yl)phenyl]iminomethyl]-N,N-bis(2-chloroethyl)aniline hydrochloride
IUPAC Name: 4-[[4-(2-benzyl-5-methyl-1,3-thiazol-4-yl)phenyl]iminomethyl]-N,N-bis(2-chloroethyl)aniline hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-4-[[4-[5-methyl-2-(phenylmethyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]aniline hydrochloride
MOLECULAR FORMULA: C28H28Cl3N3S
MOLECULAR WEIGHT: 544.96602
SMILES: CC1=C(N=C(S1)CC2=CC=CC=C2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)N(CCCl)CCCl.Cl
Structure:
CAS RN: 35440-53-0
CAS Name: N-hydroxydecanamide; sodium
OPENEYE Name: decanehydroxamic acid; sodium
IUPAC Name: N-hydroxydecanamide; sodium
SYSTEMATIC NAME: N-oxidanyldecanamide; sodium
MOLECULAR FORMULA: C10H21NNaO2
MOLECULAR WEIGHT: 210.26901
SMILES: CCCCCCCCCC(=O)NO.[Na]
Structure:
CAS RN: 65476-32-6
CAS Name: 2-(4-hydrazinylphenyl)acetic acid chloride
OPENEYE Name: 2-(4-hydrazinophenyl)acetic acid chloride
IUPAC Name: 2-(4-hydrazinylphenyl)acetic acid chloride
SYSTEMATIC NAME: 2-(4-diazanylphenyl)ethanoic acid chloride
MOLECULAR FORMULA: C8H10ClN2O2-
MOLECULAR WEIGHT: 201.6302
SMILES: C1=CC(=CC=C1CC(=O)O)NN.[Cl-]
Structure:
CAS RN: 4278-02-8
CAS Name: 3,5-dinitrobenzenecarboximidic acid ethyl ester chloride
OPENEYE Name: ethyl 3,5-dinitrobenzenecarboximidate chloride
IUPAC Name: ethyl 3,5-dinitrobenzenecarboximidate chloride
SYSTEMATIC NAME: ethyl 3,5-dinitrobenzenecarboximidate chloride
MOLECULAR FORMULA: C9H9ClN3O5-
MOLECULAR WEIGHT: 274.63786
SMILES: CCOC(=N)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-].[Cl-]
Structure:
CAS RN: 78831-51-3
CAS Name: carbamimidothioic acid 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl ester bromide
OPENEYE Name: 2-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]isothiourea bromide
IUPAC Name: 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl carbamimidothioate bromide
SYSTEMATIC NAME: 2-[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]ethyl carbamimidothioate bromide
MOLECULAR FORMULA: C8H12BrN4O2S-
MOLECULAR WEIGHT: 308.17548
SMILES: CC1=C(C(=O)NC(=O)N1)CCSC(=N)N.[Br-]
Structure:
CAS RN: 78831-58-0
CAS Name: carbamimidothioic acid (4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) ester bromide
OPENEYE Name: 2-(4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl)isothiourea bromide
IUPAC Name: (4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate bromide
SYSTEMATIC NAME: (4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl) carbamimidothioate bromide
MOLECULAR FORMULA: C8H10BrN4OS-
MOLECULAR WEIGHT: 290.1602
SMILES: CC1=C2CCOC2=NC(=N1)SC(=N)N.[Br-]
Structure:
CAS RN: 69603-90-3
CAS Name: 5-ethyl-2-[2-[2-(5-ethyl-1-oxido-2-pyridin-1-iumyl)ethylthio]ethyl]-1-oxidopyridin-1-ium chloride
OPENEYE Name: 5-ethyl-2-[2-[2-(5-ethyl-1-oxido-pyridin-1-ium-2-yl)ethylsulfanyl]ethyl]-1-oxido-pyridin-1-ium chloride
IUPAC Name: 5-ethyl-2-[2-[2-(5-ethyl-1-oxidopyridin-1-ium-2-yl)ethylsulfanyl]ethyl]-1-oxidopyridin-1-ium chloride
SYSTEMATIC NAME: 5-ethyl-2-[2-[2-(5-ethyl-1-oxidanidyl-pyridin-1-ium-2-yl)ethylsulfanyl]ethyl]-1-oxidanidyl-pyridin-1-ium chloride
MOLECULAR FORMULA: C18H24ClN2O2S-
MOLECULAR WEIGHT: 367.91336
SMILES: CCC1=C[N+](=C(C=C1)CCSCCC2=[N+](C=C(C=C2)CC)[O-])[O-].[Cl-]
Structure:
CAS RN: 69603-87-8
CAS Name: 2-methyl-6-[2-[2-(6-methyl-1-oxido-2-pyridin-1-iumyl)ethylthio]ethyl]-1-oxidopyridin-1-ium chloride
OPENEYE Name: 2-methyl-6-[2-[2-(6-methyl-1-oxido-pyridin-1-ium-2-yl)ethylsulfanyl]ethyl]-1-oxido-pyridin-1-ium chloride
IUPAC Name: 2-methyl-6-[2-[2-(6-methyl-1-oxidopyridin-1-ium-2-yl)ethylsulfanyl]ethyl]-1-oxidopyridin-1-ium chloride
SYSTEMATIC NAME: 2-methyl-6-[2-[2-(6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)ethylsulfanyl]ethyl]-1-oxidanidyl-pyridin-1-ium chloride
MOLECULAR FORMULA: C16H20ClN2O2S-
MOLECULAR WEIGHT: 339.8602
SMILES: CC1=[N+](C(=CC=C1)CCSCCC2=CC=CC(=[N+]2[O-])C)[O-].[Cl-]
Structure:
CAS RN: 69603-88-9
CAS Name: 2-[2-[2-(4,6-dimethyl-1-oxido-2-pyridin-1-iumyl)ethylthio]ethyl]-4,6-dimethyl-1-oxidopyridin-1-ium chloride
OPENEYE Name: 2-[2-[2-(4,6-dimethyl-1-oxido-pyridin-1-ium-2-yl)ethylsulfanyl]ethyl]-4,6-dimethyl-1-oxido-pyridin-1-ium chloride
IUPAC Name: 2-[2-[2-(4,6-dimethyl-1-oxidopyridin-1-ium-2-yl)ethylsulfanyl]ethyl]-4,6-dimethyl-1-oxidopyridin-1-ium chloride
SYSTEMATIC NAME: 2-[2-[2-(4,6-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)ethylsulfanyl]ethyl]-4,6-dimethyl-1-oxidanidyl-pyridin-1-ium chloride
MOLECULAR FORMULA: C18H24ClN2O2S-
MOLECULAR WEIGHT: 367.91336
SMILES: CC1=CC(=[N+](C(=C1)CCSCCC2=CC(=CC(=[N+]2[O-])C)C)[O-])C.[Cl-]
Structure:
CAS RN: 69603-92-5
CAS Name: sodium 2,4-dimethyl-6-[2-(sulfothio)ethyl]pyridine
OPENEYE Name: sodium 2,4-dimethyl-6-(2-sulfosulfanylethyl)pyridine
IUPAC Name: sodium 2,4-dimethyl-6-(2-sulfosulfanylethyl)pyridine
SYSTEMATIC NAME: sodium 2,4-dimethyl-6-(2-sulfosulfanylethyl)pyridine
MOLECULAR FORMULA: C9H13NNaO3S2+
MOLECULAR WEIGHT: 270.32419
SMILES: CC1=CC(=NC(=C1)CCSS(=O)(=O)O)C.[Na+]
Structure:
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