CAS RN: 85117-75-5
CAS Name: 1,1-dimethylaziridin-1-ium; hydrogen sulfate
OPENEYE Name: 1,1-dimethylaziridin-1-ium; hydrogen sulfate
IUPAC Name: 1,1-dimethylaziridin-1-ium; hydrogen sulfate
SYSTEMATIC NAME: 1,1-dimethylaziridin-1-ium; hydrogen sulfate
MOLECULAR FORMULA: C4H11NO4S
MOLECULAR WEIGHT: 169.19944
SMILES: C[N+]1(CC1)C.OS(=O)(=O)[O-]
Structure:
CAS RN: 85099-31-6
CAS Name: 5-methoxy-2-[(4-methylphenyl)thio]-4-(4-morpholinyl)benzenediazonium hexafluorophosphate
OPENEYE Name: 5-methoxy-4-morpholino-2-(p-tolylsulfanyl)benzenediazonium hexafluorophosphate
IUPAC Name: 5-methoxy-2-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbenzenediazonium hexafluorophosphate
SYSTEMATIC NAME: 5-methoxy-2-(4-methylphenyl)sulfanyl-4-morpholin-4-yl-benzenediazonium hexafluorophosphate
MOLECULAR FORMULA: C18H20F6N3O2PS
MOLECULAR WEIGHT: 487.39948
SMILES: CC1=CC=C(C=C1)SC2=CC(=C(C=C2[N+]#N)OC)N3CCOCC3.F[P-](F)(F)(F)(F)F
Structure:
CAS RN: 85099-30-5
CAS Name: 4-benzamido-2,5-dibutoxybenzenediazonium tetrafluoroborate
OPENEYE Name: 4-benzamido-2,5-dibutoxy-benzenediazonium tetrafluoroborate
IUPAC Name: 4-benzamido-2,5-dibutoxybenzenediazonium tetrafluoroborate
SYSTEMATIC NAME: 4-benzamido-2,5-dibutoxy-benzenediazonium tetrafluoroborate
MOLECULAR FORMULA: C21H26BF4N3O3
MOLECULAR WEIGHT: 455.254053
SMILES: [B-](F)(F)(F)F.CCCCOC1=CC(=C(C=C1[N+]#N)OCCCC)NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 85099-29-2
CAS Name: 4-[bis(phenylmethyl)amino]-3-ethoxybenzenediazonium hexafluorophosphate
OPENEYE Name: 4-(dibenzylamino)-3-ethoxy-benzenediazonium hexafluorophosphate
IUPAC Name: 4-(dibenzylamino)-3-ethoxybenzenediazonium hexafluorophosphate
SYSTEMATIC NAME: 4-[bis(phenylmethyl)amino]-3-ethoxy-benzenediazonium hexafluorophosphate
MOLECULAR FORMULA: C22H22F6N3OP
MOLECULAR WEIGHT: 489.39376
SMILES: CCOC1=C(C=CC(=C1)[N+]#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3.F[P-](F)(F)(F)(F)F
Structure:
CAS RN: 85099-28-1
CAS Name: 2-chloro-5-methoxy-4-(2-pyridinylamino)benzenediazonium tetrafluoroborate
OPENEYE Name: 2-chloro-5-methoxy-4-(2-pyridylamino)benzenediazonium tetrafluoroborate
IUPAC Name: 2-chloro-5-methoxy-4-(pyridin-2-ylamino)benzenediazonium tetrafluoroborate
SYSTEMATIC NAME: 2-chloranyl-5-methoxy-4-(pyridin-2-ylamino)benzenediazonium tetrafluoroborate
MOLECULAR FORMULA: C12H10BClF4N4O
MOLECULAR WEIGHT: 348.491613
SMILES: [B-](F)(F)(F)F.COC1=C(C=C(C(=C1)[N+]#N)Cl)NC2=CC=CC=N2
Structure:
CAS RN: 85099-27-0
CAS Name: 2-chloro-5-methoxy-4-(2-pyridinylamino)benzenediazonium hexafluorophosphate
OPENEYE Name: 2-chloro-5-methoxy-4-(2-pyridylamino)benzenediazonium hexafluorophosphate
IUPAC Name: 2-chloro-5-methoxy-4-(pyridin-2-ylamino)benzenediazonium hexafluorophosphate
SYSTEMATIC NAME: 2-chloranyl-5-methoxy-4-(pyridin-2-ylamino)benzenediazonium hexafluorophosphate
MOLECULAR FORMULA: C12H10ClF6N4OP
MOLECULAR WEIGHT: 406.65118
SMILES: COC1=C(C=C(C(=C1)[N+]#N)Cl)NC2=CC=CC=N2.F[P-](F)(F)(F)(F)F
Structure:
CAS RN: 85099-12-3
CAS Name: bis(2-hydroxyoctadecyl) hydrogen phosphate
OPENEYE Name: bis(2-hydroxyoctadecyl) hydrogen phosphate
IUPAC Name: bis(2-hydroxyoctadecyl) hydrogen phosphate
SYSTEMATIC NAME: bis(2-oxidanyloctadecyl) hydrogen phosphate
MOLECULAR FORMULA: C36H75O6P
MOLECULAR WEIGHT: 634.950861
SMILES: CCCCCCCCCCCCCCCCC(COP(=O)(O)OCC(CCCCCCCCCCCCCCCC)O)O
Structure:
CAS RN: 85098-94-8
CAS Name: acetic acid [2-methyl-5-(1-methylethenyl)-3-(methylthio)cyclohexyl] ester
OPENEYE Name: (5-isopropenyl-2-methyl-3-methylsulfanyl-cyclohexyl) acetate
IUPAC Name: (2-methyl-3-methylsulfanyl-5-prop-1-en-2-ylcyclohexyl) acetate
SYSTEMATIC NAME: (2-methyl-3-methylsulfanyl-5-prop-1-en-2-yl-cyclohexyl) ethanoate
MOLECULAR FORMULA: C13H22O2S
MOLECULAR WEIGHT: 242.37758
SMILES: CC1C(CC(CC1SC)C(=C)C)OC(=O)C
Structure:
CAS RN: 85098-89-1
CAS Name: acetic acid [7,8a-dimethyl-3-(1-methylethenyl)-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-yl] ester
OPENEYE Name: (3-isopropenyl-7,8a-dimethyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-yl) acetate
IUPAC Name: (7,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-yl) acetate
SYSTEMATIC NAME: (7,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-yl) ethanoate
MOLECULAR FORMULA: C17H26O2
MOLECULAR WEIGHT: 262.38714
SMILES: CC1=CCC2CC(CC(C2(C1)C)OC(=O)C)C(=C)C
Structure:
CAS RN: 85098-72-2
CAS Name: N-[2-[(2-hydroxyethylamino)-oxomethyl]phenyl]carbamic acid methyl ester
OPENEYE Name: methyl N-[2-(2-hydroxyethylcarbamoyl)phenyl]carbamate
IUPAC Name: methyl N-[2-(2-hydroxyethylcarbamoyl)phenyl]carbamate
SYSTEMATIC NAME: methyl N-[2-(2-hydroxyethylcarbamoyl)phenyl]carbamate
MOLECULAR FORMULA: C11H14N2O4
MOLECULAR WEIGHT: 238.23986
SMILES: COC(=O)NC1=CC=CC=C1C(=O)NCCO
Structure:
CAS RN: 85050-06-2
CAS Name: 4-[(5Z)-4-methyl-5-[(1-methyl-2-quinolin-1-iumyl)methylidene]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester; methyl sulfate
OPENEYE Name: methyl 4-[(5Z)-4-methyl-5-[(1-methylquinolin-1-ium-2-yl)methylene]-1,3,4-thiadiazol-2-yl]benzoate; methyl sulfate
IUPAC Name: methyl 4-[(5Z)-4-methyl-5-[(1-methylquinolin-1-ium-2-yl)methylidene]-1,3,4-thiadiazol-2-yl]benzoate; methyl sulfate
SYSTEMATIC NAME: methyl 4-[(5Z)-4-methyl-5-[(1-methylquinolin-1-ium-2-yl)methylidene]-1,3,4-thiadiazol-2-yl]benzoate; methyl sulfate
MOLECULAR FORMULA: C23H23N3O6S2
MOLECULAR WEIGHT: 501.57522
SMILES: CN1/C(=C/C2=[N+](C3=CC=CC=C3C=C2)C)/SC(=N1)C4=CC=C(C=C4)C(=O)OC.COS(=O)(=O)[O-]
Structure:
CAS RN: 85050-04-0
CAS Name: 3-[(3E)-3-[(2E)-2-[5-(difluoromethylsulfonyl)-1,3,3-trimethyl-2-indolylidene]ethylidene]-2-phenyl-1-indol-1-iumyl]propanoic acid methyl ester iodide
OPENEYE Name: methyl 3-[(3E)-3-[(2E)-2-[5-(difluoromethylsulfonyl)-1,3,3-trimethyl-indolin-2-ylidene]ethylidene]-2-phenyl-indol-1-ium-1-yl]propanoate iodide
IUPAC Name: methyl 3-[(3E)-3-[(2E)-2-[5-(difluoromethylsulfonyl)-1,3,3-trimethylindol-2-ylidene]ethylidene]-2-phenylindol-1-ium-1-yl]propanoate iodide
SYSTEMATIC NAME: methyl 3-[(3E)-3-[(2E)-2-[5-[bis(fluoranyl)methylsulfonyl]-1,3,3-trimethyl-indol-2-ylidene]ethylidene]-2-phenyl-indol-1-ium-1-yl]propanoate iodide
MOLECULAR FORMULA: C32H31F2IN2O4S
MOLECULAR WEIGHT: 704.565816
SMILES: CC\1(C2=C(C=CC(=C2)S(=O)(=O)C(F)F)N(/C1=C/C=C/3\C4=CC=CC=C4[N+](=C3C5=CC=CC=C5)CCC(=O)OC)C)C.[I-]
Structure:
CAS RN: 85030-51-9
CAS Name: 2-(butan-2-ylthio)anthracene-9,10-dione
OPENEYE Name: 2-sec-butylsulfanylanthracene-9,10-dione
IUPAC Name: 2-butan-2-ylsulfanylanthracene-9,10-dione
SYSTEMATIC NAME: 2-butan-2-ylsulfanylanthracene-9,10-dione
MOLECULAR FORMULA: C18H16O2S
MOLECULAR WEIGHT: 296.38344
SMILES: CCC(C)SC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 85030-16-6
CAS Name: 2-phenylacetic acid [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] ester
OPENEYE Name: [(4E)-1,5,9-trimethyl-1-vinyl-deca-4,8-dienyl] 2-phenylacetate
IUPAC Name: [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-phenylacetate
SYSTEMATIC NAME: [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-phenylethanoate
MOLECULAR FORMULA: C23H32O2
MOLECULAR WEIGHT: 340.49898
SMILES: CC(=CCC/C(=C/CCC(C)(C=C)OC(=O)CC1=CC=CC=C1)/C)C
Structure:
CAS RN: 85030-12-2
CAS Name: 2-[(3-hydroxypropylamino)methyl]-1,2-benzothiazol-3-one
OPENEYE Name: 2-[(3-hydroxypropylamino)methyl]-1,2-benzothiazol-3-one
IUPAC Name: 2-[(3-hydroxypropylamino)methyl]-1,2-benzothiazol-3-one
SYSTEMATIC NAME: 2-[(3-oxidanylpropylamino)methyl]-1,2-benzothiazol-3-one
MOLECULAR FORMULA: C11H14N2O2S
MOLECULAR WEIGHT: 238.30606
SMILES: C1=CC=C2C(=C1)C(=O)N(S2)CNCCCO
Structure:
CAS RN: 85030-11-1
CAS Name: 2-[[butyl(2-hydroxyethyl)amino]methyl]-1,2-benzothiazol-3-one
OPENEYE Name: 2-[[butyl(2-hydroxyethyl)amino]methyl]-1,2-benzothiazol-3-one
IUPAC Name: 2-[[butyl(2-hydroxyethyl)amino]methyl]-1,2-benzothiazol-3-one
SYSTEMATIC NAME: 2-[[butyl(2-hydroxyethyl)amino]methyl]-1,2-benzothiazol-3-one
MOLECULAR FORMULA: C14H20N2O2S
MOLECULAR WEIGHT: 280.3858
SMILES: CCCCN(CCO)CN1C(=O)C2=CC=CC=C2S1
Structure:
CAS RN: 85030-09-7
CAS Name: 2-(3-aminopropyl)-1,2-benzothiazol-3-one
OPENEYE Name: 2-(3-aminopropyl)-1,2-benzothiazol-3-one
IUPAC Name: 2-(3-aminopropyl)-1,2-benzothiazol-3-one
SYSTEMATIC NAME: 2-(3-azanylpropyl)-1,2-benzothiazol-3-one
MOLECULAR FORMULA: C10H12N2OS
MOLECULAR WEIGHT: 208.28008
SMILES: C1=CC=C2C(=C1)C(=O)N(S2)CCCN
Structure:
CAS RN: 85029-83-0
CAS Name: (2E)-1,3,3-trimethyl-2-[(2E)-2-[5-nitro-1-[2-oxo-2-(2-oxopropoxy)ethyl]-2-phenyl-3-indol-1-iumylidene]ethylidene]-5-indolecarboxylic acid (2-ethoxy-2-oxoethyl) ester iodide
OPENEYE Name: (2-ethoxy-2-oxo-ethyl) (2E)-2-[(2E)-2-[1-(2-acetonyloxy-2-oxo-ethyl)-5-nitro-2-phenyl-indol-1-ium-3-ylidene]ethylidene]-1,3,3-trimethyl-indoline-5-carboxylate iodide
IUPAC Name: (2-ethoxy-2-oxoethyl) (2E)-1,3,3-trimethyl-2-[(2E)-2-[5-nitro-1-[2-oxo-2-(2-oxopropoxy)ethyl]-2-phenylindol-1-ium-3-ylidene]ethylidene]indole-5-carboxylate iodide
SYSTEMATIC NAME: (2-ethoxy-2-oxidanylidene-ethyl) (2E)-1,3,3-trimethyl-2-[(2E)-2-[5-nitro-1-[2-oxidanylidene-2-(2-oxidanylidenepropoxy)ethyl]-2-phenyl-indol-1-ium-3-ylidene]ethylidene]indole-5-carboxylate iodide
MOLECULAR FORMULA: C37H36IN3O9
MOLECULAR WEIGHT: 793.60091
SMILES: CCOC(=O)COC(=O)C1=CC2=C(C=C1)N(/C(=C/C=C/3\C4=C(C=CC(=C4)[N+](=O)[O-])[N+](=C3C5=CC=CC=C5)CC(=O)OCC(=O)C)/C2(C)C)C.[I-]
Structure:
CAS RN: 85006-34-4
CAS Name: 3,5,5-trimethylhexyl dihydrogen phosphate
OPENEYE Name: 3,5,5-trimethylhexyl dihydrogen phosphate
IUPAC Name: 3,5,5-trimethylhexyl dihydrogen phosphate
SYSTEMATIC NAME: 3,5,5-trimethylhexyl dihydrogen phosphate
MOLECULAR FORMULA: C9H21O4P
MOLECULAR WEIGHT: 224.234401
SMILES: CC(CCOP(=O)(O)O)CC(C)(C)C
Structure:
CAS RN: 85006-33-3
CAS Name: decyl 3,5,5-trimethylhexyl hydrogen phosphate
OPENEYE Name: decyl 3,5,5-trimethylhexyl hydrogen phosphate
IUPAC Name: decyl 3,5,5-trimethylhexyl hydrogen phosphate
SYSTEMATIC NAME: decyl 3,5,5-trimethylhexyl hydrogen phosphate
MOLECULAR FORMULA: C19H41O4P
MOLECULAR WEIGHT: 364.500201
SMILES: CCCCCCCCCCOP(=O)(O)OCCC(C)CC(C)(C)C
Structure:
CAS RN: 84962-90-3
CAS Name: [4-[bis[4-(dimethylamino)phenyl]methylidene]-1-naphthalenylidene]-phenylammonium sulfamate
OPENEYE Name: [4-[bis[4-(dimethylamino)phenyl]methylene]-1-naphthylidene]-phenyl-ammonium sulfamate
IUPAC Name: [4-[bis[4-(dimethylamino)phenyl]methylidene]naphthalen-1-ylidene]-phenylazanium sulfamate
SYSTEMATIC NAME: [4-[bis[4-(dimethylamino)phenyl]methylidene]naphthalen-1-ylidene]-phenyl-azanium sulfamate
MOLECULAR FORMULA: C33H34N4O3S
MOLECULAR WEIGHT: 566.71306
SMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[NH+]C3=CC=CC=C3)C4=CC=CC=C24)C5=CC=C(C=C5)N(C)C.NS(=O)(=O)[O-]
Structure:
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