CAS RN: 15730-14-0
CAS Name: cobalt; 2-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]acetic acid
OPENEYE Name: cobalt; 2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]acetic acid
IUPAC Name: cobalt; 2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]acetic acid
SYSTEMATIC NAME: cobalt; 2-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanoic acid
MOLECULAR FORMULA: C18H18CoN2O6
MOLECULAR WEIGHT: 417.27852
SMILES: C1=C/C(=C/NCC(=O)O)/C(=O)C=C1.C1=C/C(=C/NCC(=O)O)/C(=O)C=C1.[Co]
Structure:
CAS RN: 39741-81-6
CAS Name: but-2-enyl(triphenyl)phosphonium bromide
OPENEYE Name: but-2-enyl(triphenyl)phosphonium bromide
IUPAC Name: but-2-enyl(triphenyl)phosphanium bromide
SYSTEMATIC NAME: but-2-enyl(triphenyl)phosphanium bromide
MOLECULAR FORMULA: C22H22BrP
MOLECULAR WEIGHT: 397.287841
SMILES: CC=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Structure:
CAS RN: 34689-52-6
CAS Name: 1-(1-tert-butyl-3-azetidinyl)-1-pentanone hydrochloride
OPENEYE Name: 1-(1-tert-butylazetidin-3-yl)pentan-1-one hydrochloride
IUPAC Name: 1-(1-tert-butylazetidin-3-yl)pentan-1-one hydrochloride
SYSTEMATIC NAME: 1-(1-tert-butylazetidin-3-yl)pentan-1-one hydrochloride
MOLECULAR FORMULA: C12H24ClNO
MOLECULAR WEIGHT: 233.77806
SMILES: CCCCC(=O)C1CN(C1)C(C)(C)C.Cl
Structure:
CAS RN: 14182-03-7
CAS Name: (E)-2-[(tert-butylamino)methyl]-1,3-diphenyl-2-propen-1-one hydrochloride
OPENEYE Name: (E)-2-[(tert-butylamino)methyl]-1,3-diphenyl-prop-2-en-1-one hydrochloride
IUPAC Name: (E)-2-[(tert-butylamino)methyl]-1,3-diphenylprop-2-en-1-one hydrochloride
SYSTEMATIC NAME: (E)-2-[(tert-butylamino)methyl]-1,3-diphenyl-prop-2-en-1-one hydrochloride
MOLECULAR FORMULA: C20H24ClNO
MOLECULAR WEIGHT: 329.86366
SMILES: CC(C)(C)NC/C(=C\C1=CC=CC=C1)/C(=O)C2=CC=CC=C2.Cl
Structure:
CAS RN: 33777-77-4
CAS Name: trimethyl-[1-(2-naphthalenyl)ethylideneamino]ammonium iodide
OPENEYE Name: trimethyl-[1-(2-naphthyl)ethylideneamino]ammonium iodide
IUPAC Name: trimethyl-(1-naphthalen-2-ylethylideneamino)azanium iodide
SYSTEMATIC NAME: trimethyl-(1-naphthalen-2-ylethylideneamino)azanium iodide
MOLECULAR FORMULA: C15H19IN2
MOLECULAR WEIGHT: 354.22923
SMILES: CC(=N[N+](C)(C)C)C1=CC2=CC=CC=C2C=C1.[I-]
Structure:
CAS RN: 40318-20-5
CAS Name: (2-aminophenyl)-phenylmethanone hydrochloride
OPENEYE Name: (2-aminophenyl)-phenyl-methanone hydrochloride
IUPAC Name: (2-aminophenyl)-phenylmethanone hydrochloride
SYSTEMATIC NAME: (2-aminophenyl)-phenyl-methanone hydrochloride
MOLECULAR FORMULA: C13H12ClNO
MOLECULAR WEIGHT: 233.69348
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2N.Cl
Structure:
CAS RN: 1074-82-4
CAS Name: isoindole-1,3-dione; potassium
OPENEYE Name: isoindoline-1,3-dione; potassium
IUPAC Name: isoindole-1,3-dione; potassium
SYSTEMATIC NAME: isoindole-1,3-dione; potassium
MOLECULAR FORMULA: C8H5KNO2
MOLECULAR WEIGHT: 186.2291
SMILES: C1=CC=C2C(=C1)C(=O)NC2=O.[K]
Structure:
CAS RN: 50309-37-0
CAS Name: N-[4-[(1-ethyl-4-pyridin-1-iumyl)amino]phenyl]-4-nitrobenzamide; 4-methylbenzenesulfonate
OPENEYE Name: N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]-4-nitro-benzamide; 4-methylbenzenesulfonate
IUPAC Name: N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]-4-nitrobenzamide; 4-methylbenzenesulfonate
SYSTEMATIC NAME: N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]-4-nitro-benzamide; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C27H26N4O6S
MOLECULAR WEIGHT: 534.58354
SMILES: CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 42013-72-9
CAS Name: 4-amino-N-[4-[(1-ethyl-4-pyridin-1-iumyl)amino]phenyl]benzamide bromide
OPENEYE Name: 4-amino-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide bromide
IUPAC Name: 4-amino-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide bromide
SYSTEMATIC NAME: 4-azanyl-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide bromide
MOLECULAR FORMULA: C20H21BrN4O
MOLECULAR WEIGHT: 413.31094
SMILES: CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N.[Br-]
Structure:
CAS RN: 14040-30-3
CAS Name: 1-carboxyethylazanide; nickel(2+)
OPENEYE Name: nickelous 1-carboxyethylazanide
IUPAC Name: 1-carboxyethylazanide; nickel(2+)
SYSTEMATIC NAME: nickel(2+); (1-oxidanyl-1-oxidanylidene-propan-2-yl)azanide
MOLECULAR FORMULA: C6H12N2NiO4
MOLECULAR WEIGHT: 234.86388
SMILES: CC(C(=O)O)[NH-].CC(C(=O)O)[NH-].[Ni+2]
Structure:
CAS RN: 22427-51-6
CAS Name: 4-methylpiperidin-1-ide; 4-methyl-2H-pyridin-1-ide; platinum(4+)
OPENEYE Name: 4-methylpiperidin-1-ide; 4-methyl-2H-pyridin-1-ide; platinum(4+)
IUPAC Name: 4-methylpiperidin-1-ide; 4-methyl-2H-pyridin-1-ide; platinum(4+)
SYSTEMATIC NAME: 4-methylpiperidin-1-ide; 4-methyl-2H-pyridin-1-ide; platinum(4+)
MOLECULAR FORMULA: C24H44N4Pt
MOLECULAR WEIGHT: 583.71096
SMILES: CC1CC[N-]CC1.CC1CC[N-]CC1.CC1CC[N-]CC1.CC1=CC[N-]C=C1.[Pt+4]
Structure:
CAS RN: 12095-29-3
CAS Name: iron; 2-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]acetic acid
OPENEYE Name: iron; 2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]acetic acid
IUPAC Name: iron; 2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]acetic acid
SYSTEMATIC NAME: iron; 2-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanoic acid
MOLECULAR FORMULA: C18H18FeN2O6
MOLECULAR WEIGHT: 414.19032
SMILES: C1=C/C(=C/NCC(=O)O)/C(=O)C=C1.C1=C/C(=C/NCC(=O)O)/C(=O)C=C1.[Fe]
Structure:
CAS RN: 16038-22-5
CAS Name: iron; 2-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]acetic acid
OPENEYE Name: iron; 2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]acetic acid
IUPAC Name: iron; 2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]acetic acid
SYSTEMATIC NAME: iron; 2-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanoic acid
MOLECULAR FORMULA: C18H18FeN2O6
MOLECULAR WEIGHT: 414.19032
SMILES: C1=C/C(=C/NCC(=O)O)/C(=O)C=C1.C1=C/C(=C/NCC(=O)O)/C(=O)C=C1.[Fe]
Structure:
CAS RN: 3727-98-8
CAS Name: N,N-bis(2-chloroethyl)-1-adamantanamine hydrochloride
OPENEYE Name: N,N-bis(2-chloroethyl)adamantan-1-amine hydrochloride
IUPAC Name: N,N-bis(2-chloroethyl)adamantan-1-amine hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)adamantan-1-amine hydrochloride
MOLECULAR FORMULA: C14H24Cl3N
MOLECULAR WEIGHT: 312.70606
SMILES: C1C2CC3CC1CC(C2)(C3)N(CCCl)CCCl.Cl
Structure:
CAS RN: 49808-19-7
CAS Name: 7H-purine-6-sulfinic acid; sodium
OPENEYE Name: 7H-purine-6-sulfinic acid; sodium
IUPAC Name: 7H-purine-6-sulfinic acid; sodium
SYSTEMATIC NAME: 7H-purine-6-sulfinic acid; sodium
MOLECULAR FORMULA: C5H4N4NaO2S
MOLECULAR WEIGHT: 207.16563
SMILES: C1=NC2=C(N1)C(=NC=N2)S(=O)O.[Na]
Structure:
CAS RN: 2666-76-4
CAS Name: 3-methyl-4-nitrophenol; sodium
OPENEYE Name: 3-methyl-4-nitro-phenol; sodium
IUPAC Name: 3-methyl-4-nitrophenol; sodium
SYSTEMATIC NAME: 3-methyl-4-nitro-phenol; sodium
MOLECULAR FORMULA: C7H7NNaO3
MOLECULAR WEIGHT: 176.12515
SMILES: CC1=C(C=CC(=C1)O)[N+](=O)[O-].[Na]
Structure:
CAS RN: 32353-56-3
CAS Name: 2-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium iodide
OPENEYE Name: 2-[2-(4-methoxyphenyl)vinyl]-1-methyl-pyridin-1-ium iodide
IUPAC Name: 2-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium iodide
SYSTEMATIC NAME: 2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-pyridin-1-ium iodide
MOLECULAR FORMULA: C15H16INO
MOLECULAR WEIGHT: 353.19811
SMILES: C[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)OC.[I-]
Structure:
CAS RN: 86467-58-5
CAS Name: 2-[2-(4-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium iodide
OPENEYE Name: 2-[2-(4-methoxyphenyl)vinyl]-1-methyl-quinolin-1-ium iodide
IUPAC Name: 2-[2-(4-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium iodide
SYSTEMATIC NAME: 2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-quinolin-1-ium iodide
MOLECULAR FORMULA: C19H18INO
MOLECULAR WEIGHT: 403.25679
SMILES: C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC=C(C=C3)OC.[I-]
Structure:
CAS RN: 28284-82-4
CAS Name: 2-(cyanomethyl)benzenesulfonic acid; potassium
OPENEYE Name: 2-(cyanomethyl)benzenesulfonic acid; potassium
IUPAC Name: 2-(cyanomethyl)benzenesulfonic acid; potassium
SYSTEMATIC NAME: 2-(cyanomethyl)benzenesulfonic acid; potassium
MOLECULAR FORMULA: C8H7KNO3S
MOLECULAR WEIGHT: 236.30938
SMILES: C1=CC=C(C(=C1)CC#N)S(=O)(=O)O.[K]
Structure:
CAS RN: 7778-70-3
CAS Name: 3H-1,3-benzothiazole-2-thione; potassium
OPENEYE Name: 3H-1,3-benzothiazole-2-thione; potassium
IUPAC Name: 3H-1,3-benzothiazole-2-thione; potassium
SYSTEMATIC NAME: 3H-1,3-benzothiazole-2-thione; potassium
MOLECULAR FORMULA: C7H5KNS2
MOLECULAR WEIGHT: 206.3496
SMILES: C1=CC=C2C(=C1)NC(=S)S2.[K]
Structure:
CAS RN: 42952-32-9
CAS Name: 3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid iodide
OPENEYE Name: 3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid iodide
IUPAC Name: 3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid iodide
SYSTEMATIC NAME: 3-(5-chloranyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid iodide
MOLECULAR FORMULA: C11H11ClINO2S
MOLECULAR WEIGHT: 383.63301
SMILES: CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCC(=O)O.[I-]
Structure:
CAS RN: 22515-76-0
CAS Name: ammonia; methanesulfonic acid
OPENEYE Name: ammonia; methanesulfonic acid
IUPAC Name: azane; methanesulfonic acid
SYSTEMATIC NAME: azane; methanesulfonic acid
MOLECULAR FORMULA: CH7NO3S
MOLECULAR WEIGHT: 113.13618
SMILES: CS(=O)(=O)O.N
Structure:
CAS RN: 74024-51-4
CAS Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanone hydrochloride
OPENEYE Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanone hydrochloride
IUPAC Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanone hydrochloride
SYSTEMATIC NAME: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanone hydrochloride
MOLECULAR FORMULA: C21H23ClN2O
MOLECULAR WEIGHT: 354.87312
SMILES: CN1CCC=C(C1)C(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42.Cl
Structure:
CAS RN: 58424-15-0
CAS Name: methanesulfonic acid 2-[N-(2-methylsulfonyloxyethyl)-4-[[4-[2-(phenoxymethyl)-4-thiazolyl]phenyl]iminomethyl]anilino]ethyl ester hydrochloride
OPENEYE Name: 2-[N-(2-methylsulfonyloxyethyl)-4-[[4-[2-(phenoxymethyl)thiazol-4-yl]phenyl]iminomethyl]anilino]ethyl methanesulfonate hydrochloride
IUPAC Name: 2-[N-(2-methylsulfonyloxyethyl)-4-[[4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]anilino]ethyl methanesulfonate hydrochloride
SYSTEMATIC NAME: 2-[2-methylsulfonyloxyethyl-[4-[[4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]phenyl]amino]ethyl methanesulfonate hydrochloride
MOLECULAR FORMULA: C29H32ClN3O7S3
MOLECULAR WEIGHT: 666.22828
SMILES: CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=CSC(=N3)COC4=CC=CC=C4.Cl
Structure:
CAS RN: 58424-16-1
CAS Name: methanesulfonic acid 2-[3-methyl-N-(2-methylsulfonyloxyethyl)-4-[[4-[2-(phenoxymethyl)-4-thiazolyl]phenyl]iminomethyl]anilino]ethyl ester hydrochloride
OPENEYE Name: 2-[3-methyl-N-(2-methylsulfonyloxyethyl)-4-[[4-[2-(phenoxymethyl)thiazol-4-yl]phenyl]iminomethyl]anilino]ethyl methanesulfonate hydrochloride
IUPAC Name: 2-[3-methyl-N-(2-methylsulfonyloxyethyl)-4-[[4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]anilino]ethyl methanesulfonate hydrochloride
SYSTEMATIC NAME: 2-[[3-methyl-4-[[4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]phenyl]-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate hydrochloride
MOLECULAR FORMULA: C30H34ClN3O7S3
MOLECULAR WEIGHT: 680.25486
SMILES: CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC=C(C=C2)C3=CSC(=N3)COC4=CC=CC=C4.Cl
Structure:
CAS RN: 58424-09-2
CAS Name: methanesulfonic acid 2-[3-methyl-4-[[4-[5-methyl-2-(phenylmethyl)-4-thiazolyl]phenyl]iminomethyl]-N-(2-methylsulfonyloxyethyl)anilino]ethyl ester hydrochloride
OPENEYE Name: 2-[4-[[4-(2-benzyl-5-methyl-thiazol-4-yl)phenyl]iminomethyl]-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate hydrochloride
IUPAC Name: 2-[4-[[4-(2-benzyl-5-methyl-1,3-thiazol-4-yl)phenyl]iminomethyl]-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate hydrochloride
SYSTEMATIC NAME: 2-[[3-methyl-4-[[4-[5-methyl-2-(phenylmethyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]phenyl]-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate hydrochloride
MOLECULAR FORMULA: C31H36ClN3O6S3
MOLECULAR WEIGHT: 678.28204
SMILES: CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC=C(C=C2)C3=C(SC(=N3)CC4=CC=CC=C4)C.Cl
Structure:
CAS RN: 58423-67-9
CAS Name: methanesulfonic acid 2-[4-[[3-chloro-4-(2-phenyl-4-thiazolyl)phenyl]iminomethyl]-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl ester hydrochloride
OPENEYE Name: 2-[4-[[3-chloro-4-(2-phenylthiazol-4-yl)phenyl]iminomethyl]-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate hydrochloride
IUPAC Name: 2-[4-[[3-chloro-4-(2-phenyl-1,3-thiazol-4-yl)phenyl]iminomethyl]-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate hydrochloride
SYSTEMATIC NAME: 2-[[4-[[3-chloranyl-4-(2-phenyl-1,3-thiazol-4-yl)phenyl]iminomethyl]-3-methyl-phenyl]-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate hydrochloride
MOLECULAR FORMULA: C29H31Cl2N3O6S3
MOLECULAR WEIGHT: 684.67394
SMILES: CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC(=C(C=C2)C3=CSC(=N3)C4=CC=CC=C4)Cl.Cl
Structure:
CAS RN: 58423-61-3
CAS Name: methanesulfonic acid 2-[3-chloro-N-(2-methylsulfonyloxyethyl)-4-[[4-[2-(4-propoxyphenyl)-4-thiazolyl]phenyl]iminomethyl]anilino]ethyl ester hydrochloride
OPENEYE Name: 2-[3-chloro-N-(2-methylsulfonyloxyethyl)-4-[[4-[2-(4-propoxyphenyl)thiazol-4-yl]phenyl]iminomethyl]anilino]ethyl methanesulfonate hydrochloride
IUPAC Name: 2-[3-chloro-N-(2-methylsulfonyloxyethyl)-4-[[4-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]anilino]ethyl methanesulfonate hydrochloride
SYSTEMATIC NAME: 2-[[3-chloranyl-4-[[4-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]phenyl]-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate hydrochloride
MOLECULAR FORMULA: C31H35Cl2N3O7S3
MOLECULAR WEIGHT: 728.7265
SMILES: CCCOC1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)N=CC4=C(C=C(C=C4)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)Cl.Cl
Structure:
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