CAS RN: 84962-83-4
CAS Name: [4-[[2-[4-(diethylamino)phenyl]phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-diethylammonium sulfamate
OPENEYE Name: [4-[[2-[4-(diethylamino)phenyl]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-diethyl-ammonium sulfamate
IUPAC Name: [4-[[2-[4-(diethylamino)phenyl]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium sulfamate
SYSTEMATIC NAME: [4-[[2-[4-(diethylamino)phenyl]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethyl-azanium sulfamate
MOLECULAR FORMULA: C27H35N3O3S
MOLECULAR WEIGHT: 481.6501
SMILES: CCN(CC)C1=CC=C(C=C1)C2=CC=CC=C2C=C3C=CC(=[N+](CC)CC)C=C3.NS(=O)(=O)[O-]
Structure:
CAS RN: 84930-13-2
CAS Name: 2-(3-phenylpropoxy)acetaldehyde
OPENEYE Name: 2-(3-phenylpropoxy)acetaldehyde
IUPAC Name: 2-(3-phenylpropoxy)acetaldehyde
SYSTEMATIC NAME: 2-(3-phenylpropoxy)ethanal
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: C1=CC=C(C=C1)CCCOCC=O
Structure:
CAS RN: 84930-12-1
CAS Name: 2-(3,3,5-trimethylcyclohexyl)oxyacetaldehyde
OPENEYE Name: 2-(3,3,5-trimethylcyclohexoxy)acetaldehyde
IUPAC Name: 2-(3,3,5-trimethylcyclohexyl)oxyacetaldehyde
SYSTEMATIC NAME: 2-(3,3,5-trimethylcyclohexyl)oxyethanal
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CC1CC(CC(C1)(C)C)OCC=O
Structure:
CAS RN: 84930-11-0
CAS Name: 2-(4-tert-butylcyclohexyl)oxyacetaldehyde
OPENEYE Name: 2-(4-tert-butylcyclohexoxy)acetaldehyde
IUPAC Name: 2-(4-tert-butylcyclohexyl)oxyacetaldehyde
SYSTEMATIC NAME: 2-(4-tert-butylcyclohexyl)oxyethanal
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CC(C)(C)C1CCC(CC1)OCC=O
Structure:
CAS RN: 84912-08-3
CAS Name: 3-acetyl-1,6-dimethyl-4-(methylamino)-2-pyridinone
OPENEYE Name: 3-acetyl-1,6-dimethyl-4-(methylamino)pyridin-2-one
IUPAC Name: 3-acetyl-1,6-dimethyl-4-(methylamino)pyridin-2-one
SYSTEMATIC NAME: 3-ethanoyl-1,6-dimethyl-4-(methylamino)pyridin-2-one
MOLECULAR FORMULA: C10H14N2O2
MOLECULAR WEIGHT: 194.23036
SMILES: CC1=CC(=C(C(=O)N1C)C(=O)C)NC
Structure:
CAS RN: 84873-35-8
CAS Name: 1-amino-2-[4-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]phenoxy]-4-hydroxyanthracene-9,10-dione
OPENEYE Name: 1-amino-2-[4-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]phenoxy]-4-hydroxy-anthracene-9,10-dione
IUPAC Name: 1-amino-2-[4-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]phenoxy]-4-hydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 1-azanyl-2-[4-[[4-(dibutylamino)-6-fluoranyl-1,3,5-triazin-2-yl]oxy]phenoxy]-4-oxidanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C31H30FN5O5
MOLECULAR WEIGHT: 571.598803
SMILES: CCCCN(CCCC)C1=NC(=NC(=N1)F)OC2=CC=C(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N
Structure:
CAS RN: 84824-91-9
CAS Name: 1-methylpyridin-1-ium-3,5-dicarboxylic acid iodide
OPENEYE Name: 1-methylpyridin-1-ium-3,5-dicarboxylic acid iodide
IUPAC Name: 1-methylpyridin-1-ium-3,5-dicarboxylic acid iodide
SYSTEMATIC NAME: 1-methylpyridin-1-ium-3,5-dicarboxylic acid iodide
MOLECULAR FORMULA: C8H8INO4
MOLECULAR WEIGHT: 309.05789
SMILES: C[N+]1=CC(=CC(=C1)C(=O)O)C(=O)O.[I-]
Structure:
CAS RN: 84824-83-9
CAS Name: 2-chloroacetic acid [2-[(2,2-dichloro-1-oxoethyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] ester
OPENEYE Name: [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-chloroacetate
IUPAC Name: [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-chloroacetate
SYSTEMATIC NAME: [2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-methylsulfonylphenyl)-3-oxidanyl-propyl] 2-chloranylethanoate
MOLECULAR FORMULA: C14H16Cl3NO6S
MOLECULAR WEIGHT: 432.70394
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(C(COC(=O)CCl)NC(=O)C(Cl)Cl)O
Structure:
CAS RN: 84812-70-4
CAS Name: (E)-2-methyl-2-butenoic acid (2-methoxy-4-prop-2-enylphenyl) ester
OPENEYE Name: (4-allyl-2-methoxy-phenyl) (E)-2-methylbut-2-enoate
IUPAC Name: (2-methoxy-4-prop-2-enylphenyl) (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: (2-methoxy-4-prop-2-enyl-phenyl) (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C15H18O3
MOLECULAR WEIGHT: 246.30162
SMILES: C/C=C(\C)/C(=O)OC1=C(C=C(C=C1)CC=C)OC
Structure:
CAS RN: 84803-60-1
CAS Name: 2-hydroxybenzoic acid (2-methoxy-2-oxoethyl) ester
OPENEYE Name: (2-methoxy-2-oxo-ethyl) 2-hydroxybenzoate
IUPAC Name: (2-methoxy-2-oxoethyl) 2-hydroxybenzoate
SYSTEMATIC NAME: (2-methoxy-2-oxidanylidene-ethyl) 2-oxidanylbenzoate
MOLECULAR FORMULA: C10H10O5
MOLECULAR WEIGHT: 210.1834
SMILES: COC(=O)COC(=O)C1=CC=CC=C1O
Structure:
CAS RN: 73052-32-1
CAS Name: 2-(1-pyridin-1-iumylmethyl)benzenesulfonate
OPENEYE Name: 2-(pyridin-1-ium-1-ylmethyl)benzenesulfonate
IUPAC Name: 2-(pyridin-1-ium-1-ylmethyl)benzenesulfonate
SYSTEMATIC NAME: 2-(pyridin-1-ium-1-ylmethyl)benzenesulfonate
MOLECULAR FORMULA: C12H11NO3S
MOLECULAR WEIGHT: 249.28564
SMILES: C1=CC=[N+](C=C1)CC2=CC=CC=C2S(=O)(=O)[O-]
Structure:
CAS RN: 84788-21-6
CAS Name: 2-(1-pyridin-1-iumylmethyl)benzenesulfonate
OPENEYE Name: 2-(pyridin-1-ium-1-ylmethyl)benzenesulfonate
IUPAC Name: 2-(pyridin-1-ium-1-ylmethyl)benzenesulfonate
SYSTEMATIC NAME: 2-(pyridin-1-ium-1-ylmethyl)benzenesulfonate
MOLECULAR FORMULA: C12H11NO3S
MOLECULAR WEIGHT: 249.28564
SMILES: C1=CC=[N+](C=C1)CC2=CC=CC=C2S(=O)(=O)[O-]
Structure:
CAS RN: 84788-11-4
CAS Name: 2-amino-5-anilino-1,8-dihydroxyanthracene-9,10-dione
OPENEYE Name: 2-amino-5-anilino-1,8-dihydroxy-anthracene-9,10-dione
IUPAC Name: 2-amino-5-anilino-1,8-dihydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 2-azanyl-1,8-bis(oxidanyl)-5-phenylazanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C20H14N2O4
MOLECULAR WEIGHT: 346.33616
SMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C3=O)C=CC(=C4O)N
Structure:
CAS RN: 84788-07-8
CAS Name: 4-[bis(phenylmethyl)amino]-3-ethoxybenzenediazonium tetrafluoroborate
OPENEYE Name: 4-(dibenzylamino)-3-ethoxy-benzenediazonium tetrafluoroborate
IUPAC Name: 4-(dibenzylamino)-3-ethoxybenzenediazonium tetrafluoroborate
SYSTEMATIC NAME: 4-[bis(phenylmethyl)amino]-3-ethoxy-benzenediazonium tetrafluoroborate
MOLECULAR FORMULA: C22H22BF4N3O
MOLECULAR WEIGHT: 431.234193
SMILES: [B-](F)(F)(F)F.CCOC1=C(C=CC(=C1)[N+]#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3
Structure:
CAS RN: 84787-97-3
CAS Name: 4-[(E)-2-(5-chloro-1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]-N,N-dimethylaniline chloride
OPENEYE Name: 4-[(E)-2-(5-chloro-1,3,3-trimethyl-indol-1-ium-2-yl)vinyl]-N,N-dimethyl-aniline chloride
IUPAC Name: 4-[(E)-2-(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-N,N-dimethylaniline chloride
SYSTEMATIC NAME: 4-[(E)-2-(5-chloranyl-1,3,3-trimethyl-indol-1-ium-2-yl)ethenyl]-N,N-dimethyl-aniline chloride
MOLECULAR FORMULA: C21H24Cl2N2
MOLECULAR WEIGHT: 375.33466
SMILES: CC1(C2=C(C=CC(=C2)Cl)[N+](=C1/C=C/C3=CC=C(C=C3)N(C)C)C)C.[Cl-]
Structure:
CAS RN: 84753-03-7
CAS Name: 2-hydroxyhexadecyl dihydrogen phosphate
OPENEYE Name: 2-hydroxyhexadecyl dihydrogen phosphate
IUPAC Name: 2-hydroxyhexadecyl dihydrogen phosphate
SYSTEMATIC NAME: 2-oxidanylhexadecyl dihydrogen phosphate
MOLECULAR FORMULA: C16H35O5P
MOLECULAR WEIGHT: 338.419861
SMILES: CCCCCCCCCCCCCCC(COP(=O)(O)O)O
Structure:
CAS RN: 84731-73-7
CAS Name: 2-methylbutanoic acid (2-methoxy-4-prop-2-enylphenyl) ester
OPENEYE Name: (4-allyl-2-methoxy-phenyl) 2-methylbutanoate
IUPAC Name: (2-methoxy-4-prop-2-enylphenyl) 2-methylbutanoate
SYSTEMATIC NAME: (2-methoxy-4-prop-2-enyl-phenyl) 2-methylbutanoate
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: CCC(C)C(=O)OC1=C(C=C(C=C1)CC=C)OC
Structure:
CAS RN: 84681-87-8
CAS Name: butanoic acid [1-(2-methylpropoxy)-1-oxopropan-2-yl] ester
OPENEYE Name: (2-isobutoxy-1-methyl-2-oxo-ethyl) butanoate
IUPAC Name: [1-(2-methylpropoxy)-1-oxopropan-2-yl] butanoate
SYSTEMATIC NAME: [1-(2-methylpropoxy)-1-oxidanylidene-propan-2-yl] butanoate
MOLECULAR FORMULA: C11H20O4
MOLECULAR WEIGHT: 216.2741
SMILES: CCCC(=O)OC(C)C(=O)OCC(C)C
Structure:
CAS RN: 84681-85-6
CAS Name: acetic acid [4-methyl-4-(4-methylphenyl)pentan-2-yl] ester
OPENEYE Name: [1,3-dimethyl-3-(p-tolyl)butyl] acetate
IUPAC Name: [4-methyl-4-(4-methylphenyl)pentan-2-yl] acetate
SYSTEMATIC NAME: [4-methyl-4-(4-methylphenyl)pentan-2-yl] ethanoate
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: CC1=CC=C(C=C1)C(C)(C)CC(C)OC(=O)C
Structure:
CAS RN: 84642-55-7
CAS Name: 2-phenylacetic acid 3-oxobutan-2-yl ester
OPENEYE Name: (1-methyl-2-oxo-propyl) 2-phenylacetate
IUPAC Name: 3-oxobutan-2-yl 2-phenylacetate
SYSTEMATIC NAME: 3-oxidanylidenebutan-2-yl 2-phenylethanoate
MOLECULAR FORMULA: C12H14O3
MOLECULAR WEIGHT: 206.23776
SMILES: CC(C(=O)C)OC(=O)CC1=CC=CC=C1
Structure:
CAS RN: 84604-43-3
CAS Name: 2-methylbutanoic acid 1,3-benzodioxol-5-ylmethyl ester
OPENEYE Name: 1,3-benzodioxol-5-ylmethyl 2-methylbutanoate
IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-methylbutanoate
SYSTEMATIC NAME: 1,3-benzodioxol-5-ylmethyl 2-methylbutanoate
MOLECULAR FORMULA: C13H16O4
MOLECULAR WEIGHT: 236.26374
SMILES: CCC(C)C(=O)OCC1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 84604-39-7
CAS Name: (E)-2-methyl-2-butenoic acid 1,3-benzodioxol-5-ylmethyl ester
OPENEYE Name: 1,3-benzodioxol-5-ylmethyl (E)-2-methylbut-2-enoate
IUPAC Name: 1,3-benzodioxol-5-ylmethyl (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: 1,3-benzodioxol-5-ylmethyl (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C13H14O4
MOLECULAR WEIGHT: 234.24786
SMILES: C/C=C(\C)/C(=O)OCC1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 84604-32-0
CAS Name: 4-(1-azepanyl)-3-chlorobenzenediazonium hexafluorophosphate
OPENEYE Name: 4-(azepan-1-yl)-3-chloro-benzenediazonium hexafluorophosphate
IUPAC Name: 4-(azepan-1-yl)-3-chlorobenzenediazonium hexafluorophosphate
SYSTEMATIC NAME: 4-(azepan-1-yl)-3-chloranyl-benzenediazonium hexafluorophosphate
MOLECULAR FORMULA: C12H15ClF6N3P
MOLECULAR WEIGHT: 381.68478
SMILES: C1CCCN(CC1)C2=C(C=C(C=C2)[N+]#N)Cl.F[P-](F)(F)(F)(F)F
Structure:
CAS RN: 84604-31-9
CAS Name: 4-(1-azepanyl)-3-chlorobenzenediazonium tetrafluoroborate
OPENEYE Name: 4-(azepan-1-yl)-3-chloro-benzenediazonium tetrafluoroborate
IUPAC Name: 4-(azepan-1-yl)-3-chlorobenzenediazonium tetrafluoroborate
SYSTEMATIC NAME: 4-(azepan-1-yl)-3-chloranyl-benzenediazonium tetrafluoroborate
MOLECULAR FORMULA: C12H15BClF4N3
MOLECULAR WEIGHT: 323.525213
SMILES: [B-](F)(F)(F)F.C1CCCN(CC1)C2=C(C=C(C=C2)[N+]#N)Cl
Structure:
CAS RN: 84560-12-3
CAS Name: 1-amino-2-bromo-4,8-dihydroxy-5-(methylamino)anthracene-9,10-dione
OPENEYE Name: 1-amino-2-bromo-4,8-dihydroxy-5-(methylamino)anthracene-9,10-dione
IUPAC Name: 1-amino-2-bromo-4,8-dihydroxy-5-(methylamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1-azanyl-2-bromanyl-5-(methylamino)-4,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C15H11BrN2O4
MOLECULAR WEIGHT: 363.16284
SMILES: CNC1=C2C(=C(C=C1)O)C(=O)C3=C(C2=O)C(=CC(=C3N)Br)O
Structure:
CAS RN: 84522-26-9
CAS Name: diethyl(prop-1-ynyl)ammonium; hydrogen sulfate
OPENEYE Name: diethyl(prop-1-ynyl)ammonium; hydrogen sulfate
IUPAC Name: diethyl(prop-1-ynyl)azanium; hydrogen sulfate
SYSTEMATIC NAME: diethyl(prop-1-ynyl)azanium; hydrogen sulfate
MOLECULAR FORMULA: C7H15NO4S
MOLECULAR WEIGHT: 209.2633
SMILES: CC[NH+](CC)C#CC.OS(=O)(=O)[O-]
Structure:
CAS RN: 84522-12-3
CAS Name: 2-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium; hydrogen sulfate
OPENEYE Name: 2-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium; hydrogen sulfate
IUPAC Name: 2-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium; hydrogen sulfate
SYSTEMATIC NAME: 2-chloranyl-5-(4-chloranylphenoxy)-4-(dimethylamino)benzenediazonium; hydrogen sulfate
MOLECULAR FORMULA: C14H13Cl2N3O5S
MOLECULAR WEIGHT: 406.24112
SMILES: CN(C)C1=C(C=C(C(=C1)Cl)[N+]#N)OC2=CC=C(C=C2)Cl.OS(=O)(=O)[O-]
Structure:
CAS RN: 84522-10-1
CAS Name: 2-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium tetrafluoroborate
OPENEYE Name: 2-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium tetrafluoroborate
IUPAC Name: 2-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium tetrafluoroborate
SYSTEMATIC NAME: 2-(4-chloranylphenoxy)-4-(dimethylamino)benzenediazonium tetrafluoroborate
MOLECULAR FORMULA: C14H13BClF4N3O
MOLECULAR WEIGHT: 361.530133
SMILES: [B-](F)(F)(F)F.CN(C)C1=CC(=C(C=C1)[N+]#N)OC2=CC=C(C=C2)Cl
Structure:
CAS RN: 84434-52-6
CAS Name: tetracosanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester
OPENEYE Name: (4-methyl-2-oxo-chromen-7-yl) tetracosanoate
IUPAC Name: (4-methyl-2-oxochromen-7-yl) tetracosanoate
SYSTEMATIC NAME: (4-methyl-2-oxidanylidene-chromen-7-yl) tetracosanoate
MOLECULAR FORMULA: C34H54O4
MOLECULAR WEIGHT: 526.79016
SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C
Structure:
CAS RN: 84434-38-8
CAS Name: 1,4,5,8-tetrakis[(4-tert-butylphenyl)thio]anthracene-9,10-dione
OPENEYE Name: 1,4,5,8-tetrakis[(4-tert-butylphenyl)sulfanyl]anthracene-9,10-dione
IUPAC Name: 1,4,5,8-tetrakis[(4-tert-butylphenyl)sulfanyl]anthracene-9,10-dione
SYSTEMATIC NAME: 1,4,5,8-tetrakis[(4-tert-butylphenyl)sulfanyl]anthracene-9,10-dione
MOLECULAR FORMULA: C54H56O2S4
MOLECULAR WEIGHT: 865.28124
SMILES: CC(C)(C)C1=CC=C(C=C1)SC2=C3C(=C(C=C2)SC4=CC=C(C=C4)C(C)(C)C)C(=O)C5=C(C=CC(=C5C3=O)SC6=CC=C(C=C6)C(C)(C)C)SC7=CC=C(C=C7)C(C)(C)C
Structure:
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