CAS RN: 60848-32-0
CAS Name: 1-methyl-4-(2-methylpropyl)naphthalene
OPENEYE Name: 1-isobutyl-4-methyl-naphthalene
IUPAC Name: 1-methyl-4-(2-methylpropyl)naphthalene
SYSTEMATIC NAME: 1-methyl-4-(2-methylpropyl)naphthalene
MOLECULAR FORMULA: C15H18
MOLECULAR WEIGHT: 198.30342
SMILES: CC1=CC=C(C2=CC=CC=C12)CC(C)C
Structure:
CAS RN: 60834-86-8
CAS Name: 2,4,6-tricyclopentyl-3-methylphenol
OPENEYE Name: 2,4,6-tricyclopentyl-3-methyl-phenol
IUPAC Name: 2,4,6-tricyclopentyl-3-methylphenol
SYSTEMATIC NAME: 2,4,6-tricyclopentyl-3-methyl-phenol
MOLECULAR FORMULA: C22H32O
MOLECULAR WEIGHT: 312.48888
SMILES: CC1=C(C(=C(C=C1C2CCCC2)C3CCCC3)O)C4CCCC4
Structure:
CAS RN: 60834-82-4
CAS Name: 2-cyclopentyl-5,6,7,8-tetrahydronaphthalen-1-ol
OPENEYE Name: 6-cyclopentyltetralin-5-ol
IUPAC Name: 2-cyclopentyl-5,6,7,8-tetrahydronaphthalen-1-ol
SYSTEMATIC NAME: 2-cyclopentyl-5,6,7,8-tetrahydronaphthalen-1-ol
MOLECULAR FORMULA: C15H20O
MOLECULAR WEIGHT: 216.3187
SMILES: C1CCC(C1)C2=C(C3=C(CCCC3)C=C2)O
Structure:
CAS RN: 60834-79-9
CAS Name: 2,4-dicyclopentyl-5,6,7,8-tetrahydronaphthalen-1-ol
OPENEYE Name: 6,8-dicyclopentyltetralin-5-ol
IUPAC Name: 2,4-dicyclopentyl-5,6,7,8-tetrahydronaphthalen-1-ol
SYSTEMATIC NAME: 2,4-dicyclopentyl-5,6,7,8-tetrahydronaphthalen-1-ol
MOLECULAR FORMULA: C20H28O
MOLECULAR WEIGHT: 284.43572
SMILES: C1CCC(C1)C2=CC(=C(C3=C2CCCC3)O)C4CCCC4
Structure:
CAS RN: 60834-78-8
CAS Name: 3-methyl-2,4,6-tri(propan-2-yl)phenol
OPENEYE Name: 2,4,6-triisopropyl-3-methyl-phenol
IUPAC Name: 3-methyl-2,4,6-tri(propan-2-yl)phenol
SYSTEMATIC NAME: 3-methyl-2,4,6-tri(propan-2-yl)phenol
MOLECULAR FORMULA: C16H26O
MOLECULAR WEIGHT: 234.37704
SMILES: CC1=C(C(=C(C=C1C(C)C)C(C)C)O)C(C)C
Structure:
CAS RN: 60834-67-5
CAS Name: 1,3-dicyclopentyl-5,6,7,8-tetrahydronaphthalen-2-ol
OPENEYE Name: 5,7-dicyclopentyltetralin-6-ol
IUPAC Name: 1,3-dicyclopentyl-5,6,7,8-tetrahydronaphthalen-2-ol
SYSTEMATIC NAME: 1,3-dicyclopentyl-5,6,7,8-tetrahydronaphthalen-2-ol
MOLECULAR FORMULA: C20H28O
MOLECULAR WEIGHT: 284.43572
SMILES: C1CCC(C1)C2=C(C(=C3CCCCC3=C2)C4CCCC4)O
Structure:
CAS RN: 60834-65-3
CAS Name: 1-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
OPENEYE Name: 5-tert-butyltetralin-6-ol
IUPAC Name: 1-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
SYSTEMATIC NAME: 1-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
MOLECULAR FORMULA: C14H20O
MOLECULAR WEIGHT: 204.308
SMILES: CC(C)(C)C1=C(C=CC2=C1CCCC2)O
Structure:
CAS RN: 60834-64-2
CAS Name: 2,4,5-tricyclopentylphenol
OPENEYE Name: 2,4,5-tricyclopentylphenol
IUPAC Name: 2,4,5-tricyclopentylphenol
SYSTEMATIC NAME: 2,4,5-tricyclopentylphenol
MOLECULAR FORMULA: C21H30O
MOLECULAR WEIGHT: 298.4623
SMILES: C1CCC(C1)C2=CC(=C(C=C2C3CCCC3)O)C4CCCC4
Structure:
CAS RN: 60753-22-2
CAS Name: 5-(4-phenyl-1-piperazinyl)-2-pentanone hydrochloride
OPENEYE Name: 5-(4-phenylpiperazin-1-yl)pentan-2-one hydrochloride
IUPAC Name: 5-(4-phenylpiperazin-1-yl)pentan-2-one hydrochloride
SYSTEMATIC NAME: 5-(4-phenylpiperazin-1-yl)pentan-2-one hydrochloride
MOLECULAR FORMULA: C15H23ClN2O
MOLECULAR WEIGHT: 282.80892
SMILES: CC(=O)CCCN1CCN(CC1)C2=CC=CC=C2.Cl
Structure:
CAS RN: 60577-23-3
CAS Name: 2-(dimethylamino)-2-phenyl-1-butanol hydrochloride
OPENEYE Name: 2-(dimethylamino)-2-phenyl-butan-1-ol hydrochloride
IUPAC Name: 2-(dimethylamino)-2-phenylbutan-1-ol hydrochloride
SYSTEMATIC NAME: 2-(dimethylamino)-2-phenyl-butan-1-ol hydrochloride
MOLECULAR FORMULA: C12H20ClNO
MOLECULAR WEIGHT: 229.7463
SMILES: CCC(CO)(C1=CC=CC=C1)N(C)C.Cl
Structure:
CAS RN: 60561-39-9
CAS Name: N-(4-chlorophenyl)-N-methylcarbamic acid methyl ester
OPENEYE Name: methyl N-(4-chlorophenyl)-N-methyl-carbamate
IUPAC Name: methyl N-(4-chlorophenyl)-N-methylcarbamate
SYSTEMATIC NAME: methyl N-(4-chlorophenyl)-N-methyl-carbamate
MOLECULAR FORMULA: C9H10ClNO2
MOLECULAR WEIGHT: 199.6342
SMILES: CN(C1=CC=C(C=C1)Cl)C(=O)OC
Structure:
CAS RN: 130662-55-4
CAS Name: N,N-dibutyl-1-butanamine hydrofluoride
OPENEYE Name: N,N-dibutylbutan-1-amine hydrofluoride
IUPAC Name: N,N-dibutylbutan-1-amine hydrofluoride
SYSTEMATIC NAME: N,N-dibutylbutan-1-amine hydrofluoride
MOLECULAR FORMULA: C12H28FN
MOLECULAR WEIGHT: 205.355823
SMILES: CCCCN(CCCC)CCCC.F
Structure:
CAS RN: 60435-94-1
CAS Name: N,N-dibutyl-1-butanamine hydrofluoride
OPENEYE Name: N,N-dibutylbutan-1-amine hydrofluoride
IUPAC Name: N,N-dibutylbutan-1-amine hydrofluoride
SYSTEMATIC NAME: N,N-dibutylbutan-1-amine hydrofluoride
MOLECULAR FORMULA: C12H28FN
MOLECULAR WEIGHT: 205.355823
SMILES: CCCCN(CCCC)CCCC.F
Structure:
CAS RN: 60413-01-6
CAS Name: sodium 4-(dimethylamino)benzenediazonium sulfite
OPENEYE Name: sodium 4-(dimethylamino)benzenediazonium sulfite
IUPAC Name: sodium 4-(dimethylamino)benzenediazonium sulfite
SYSTEMATIC NAME: sodium 4-(dimethylamino)benzenediazonium sulfite
MOLECULAR FORMULA: C8H10N3NaO3S
MOLECULAR WEIGHT: 251.23807
SMILES: CN(C)C1=CC=C(C=C1)[N+]#N.[O-]S(=O)[O-].[Na+]
Structure:
CAS RN: 60397-70-8
CAS Name: 2-(4-chloro-3-hydroxyphenyl)acetic acid
OPENEYE Name: 2-(4-chloro-3-hydroxy-phenyl)acetic acid
IUPAC Name: 2-(4-chloro-3-hydroxyphenyl)acetic acid
SYSTEMATIC NAME: 2-(4-chloranyl-3-oxidanyl-phenyl)ethanoic acid
MOLECULAR FORMULA: C8H7ClO3
MOLECULAR WEIGHT: 186.59238
SMILES: C1=CC(=C(C=C1CC(=O)O)O)Cl
Structure:
CAS RN: 60317-14-8
CAS Name: 3-[[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylamino]propyl-trimethylammonium; methyl sulfate
OPENEYE Name: 3-[[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylamino]propyl-trimethyl-ammonium; methyl sulfate
IUPAC Name: 3-[[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylamino]propyl-trimethylazanium; methyl sulfate
SYSTEMATIC NAME: 3-[[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylamino]propyl-trimethyl-azanium; methyl sulfate
MOLECULAR FORMULA: C22H31ClN4O6S2
MOLECULAR WEIGHT: 547.08774
SMILES: C[N+](C)(C)CCCNS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl.COS(=O)(=O)[O-]
Structure:
CAS RN: 60314-43-4
CAS Name: ammonium magnesium trichloride
OPENEYE Name: ammonium magnesium trichloride
IUPAC Name: azanium magnesium trichloride
SYSTEMATIC NAME: azanium magnesium trichloride
MOLECULAR FORMULA: Cl3H4MgN
MOLECULAR WEIGHT: 148.70246
SMILES: [NH4+].[Mg+2].[Cl-].[Cl-].[Cl-]
Structure:
CAS RN: 60274-90-0
CAS Name: sodium 8-nitro-9,10-dioxo-1-anthracenesulfonate
OPENEYE Name: sodium 8-nitro-9,10-dioxo-anthracene-1-sulfonate
IUPAC Name: sodium 8-nitro-9,10-dioxoanthracene-1-sulfonate
SYSTEMATIC NAME: sodium 8-nitro-9,10-bis(oxidanylidene)anthracene-1-sulfonate
MOLECULAR FORMULA: C14H6NNaO7S
MOLECULAR WEIGHT: 355.25471
SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C2=O)C=CC=C3S(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 60247-55-4
CAS Name: 4-[1-[2-chloro-5-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid
OPENEYE Name: 4-[1-[[2-chloro-5-[2-(3-pentadecylphenoxy)butanoylamino]phenyl]carbamoyl]-3,3-dimethyl-2-oxo-butoxy]benzoic acid
IUPAC Name: 4-[1-[2-chloro-5-[2-(3-pentadecylphenoxy)butanoylamino]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid
SYSTEMATIC NAME: 4-[1-[[2-chloranyl-5-[2-(3-pentadecylphenoxy)butanoylamino]phenyl]amino]-4,4-dimethyl-1,3-bis(oxidanylidene)pentan-2-yl]oxybenzoic acid
MOLECULAR FORMULA: C45H61ClN2O7
MOLECULAR WEIGHT: 777.42804
SMILES: CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)OC3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 60142-03-2
CAS Name: 1-butan-2-yl-2-(4-chlorophenoxy)benzene
OPENEYE Name: 1-chloro-4-(2-sec-butylphenoxy)benzene
IUPAC Name: 1-butan-2-yl-2-(4-chlorophenoxy)benzene
SYSTEMATIC NAME: 1-butan-2-yl-2-(4-chloranylphenoxy)benzene
MOLECULAR FORMULA: C16H17ClO
MOLECULAR WEIGHT: 260.75858
SMILES: CCC(C)C1=CC=CC=C1OC2=CC=C(C=C2)Cl
Structure:
CAS RN: 60078-92-4
CAS Name: 3-hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde
OPENEYE Name: 3-hydroxy-2,6,6-trimethyl-cyclohexene-1-carbaldehyde
IUPAC Name: 3-hydroxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
SYSTEMATIC NAME: 2,6,6-trimethyl-3-oxidanyl-cyclohexene-1-carbaldehyde
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: CC1=C(C(CCC1O)(C)C)C=O
Structure:
CAS RN: 60044-24-8
CAS Name: 1,2,4-tribromo-5-(2-bromophenyl)benzene
OPENEYE Name: 1,2,4-tribromo-5-(2-bromophenyl)benzene
IUPAC Name: 1,2,4-tribromo-5-(2-bromophenyl)benzene
SYSTEMATIC NAME: 1,2,4-tris(bromanyl)-5-(2-bromophenyl)benzene
MOLECULAR FORMULA: C12H6Br4
MOLECULAR WEIGHT: 469.79204
SMILES: C1=CC=C(C(=C1)C2=CC(=C(C=C2Br)Br)Br)Br
Structure:
CAS RN: 60025-94-7
CAS Name: 6-hydroxy-3-xanthenone
OPENEYE Name: 6-hydroxyxanthen-3-one
IUPAC Name: 6-hydroxyxanthen-3-one
SYSTEMATIC NAME: 6-oxidanylxanthen-3-one
MOLECULAR FORMULA: C13H8O3
MOLECULAR WEIGHT: 212.20082
SMILES: C1=CC(=O)C=C2C1=CC3=C(O2)C=C(C=C3)O
Structure:
CAS RN: 59994-27-3
CAS Name: 2-(4-aminophenyl)-5-methyl-4H-pyrazol-3-one hydrochloride
OPENEYE Name: 2-(4-aminophenyl)-5-methyl-4H-pyrazol-3-one hydrochloride
IUPAC Name: 2-(4-aminophenyl)-5-methyl-4H-pyrazol-3-one hydrochloride
SYSTEMATIC NAME: 2-(4-aminophenyl)-5-methyl-4H-pyrazol-3-one hydrochloride
MOLECULAR FORMULA: C10H12ClN3O
MOLECULAR WEIGHT: 225.67478
SMILES: CC1=NN(C(=O)C1)C2=CC=C(C=C2)N.Cl
Structure:
CAS RN: 59921-70-9
CAS Name: 4,4-diphenylbutan-2-yl-heptyl-dimethylammonium chloride
OPENEYE Name: heptyl-dimethyl-(1-methyl-3,3-diphenyl-propyl)ammonium chloride
IUPAC Name: 4,4-diphenylbutan-2-yl-heptyl-dimethylazanium chloride
SYSTEMATIC NAME: 4,4-diphenylbutan-2-yl-heptyl-dimethyl-azanium chloride
MOLECULAR FORMULA: C25H38ClN
MOLECULAR WEIGHT: 388.02892
SMILES: CCCCCCC[N+](C)(C)C(C)CC(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 59919-41-4
CAS Name: 2,6-diethylnaphthalene
OPENEYE Name: 2,6-diethylnaphthalene
IUPAC Name: 2,6-diethylnaphthalene
SYSTEMATIC NAME: 2,6-diethylnaphthalene
MOLECULAR FORMULA: C14H16
MOLECULAR WEIGHT: 184.27684
SMILES: CCC1=CC2=C(C=C1)C=C(C=C2)CC
Structure:
CAS RN: 59875-58-0
CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid O5-methyl ester O3-[2-[methyl-(phenylmethyl)amino]ethyl] ester
OPENEYE Name: O3-[2-[benzyl(methyl)amino]ethyl] O5-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
IUPAC Name: 3-O-[2-[benzyl(methyl)amino]ethyl] 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O5-methyl O3-[2-[methyl-(phenylmethyl)amino]ethyl] 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C26H27N3O6
MOLECULAR WEIGHT: 477.50908
SMILES: CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN(C)CC3=CC=CC=C3
Structure:
CAS RN: 59865-92-8
CAS Name: vanadium trihydroxide
OPENEYE Name: vanadium trihydroxide
IUPAC Name: vanadium trihydroxide
SYSTEMATIC NAME: vanadium trihydroxide
MOLECULAR FORMULA: H3O3V-3
MOLECULAR WEIGHT: 101.96352
SMILES: [OH-].[OH-].[OH-].[V]
Structure:
CAS RN: 59832-96-1
CAS Name: 4-butyl-2-methoxyphenol
OPENEYE Name: 4-butyl-2-methoxy-phenol
IUPAC Name: 4-butyl-2-methoxyphenol
SYSTEMATIC NAME: 4-butyl-2-methoxy-phenol
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CCCCC1=CC(=C(C=C1)O)OC
Structure:
CAS RN: 59813-05-7
CAS Name: piperazine dihydrobromide
OPENEYE Name: piperazine dihydrobromide
IUPAC Name: piperazine dihydrobromide
SYSTEMATIC NAME: piperazine dihydrobromide
MOLECULAR FORMULA: C4H12Br2N2
MOLECULAR WEIGHT: 247.95948
SMILES: C1CNCCN1.Br.Br
Structure:
CAS RN: 59789-51-4
CAS Name: 1-(2,4,6-tribromophenyl)pyrrole-2,5-dione
OPENEYE Name: 1-(2,4,6-tribromophenyl)pyrrole-2,5-dione
IUPAC Name: 1-(2,4,6-tribromophenyl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[2,4,6-tris(bromanyl)phenyl]pyrrole-2,5-dione
MOLECULAR FORMULA: C10H4Br3NO2
MOLECULAR WEIGHT: 409.85626
SMILES: C1=CC(=O)N(C1=O)C2=C(C=C(C=C2Br)Br)Br
Structure:
CAS RN: 59648-00-9
CAS Name: 2-(3-chloro-4-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
OPENEYE Name: 2-(3-chloro-4-fluoro-phenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
IUPAC Name: 2-(3-chloro-4-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: 2-(3-chloranyl-4-fluoranyl-phenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C14H11ClFNO2
MOLECULAR WEIGHT: 279.694043
SMILES: C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl
Structure:
CAS RN: 59647-96-0
CAS Name: 2-(3-methylphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
OPENEYE Name: 2-(m-tolyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
IUPAC Name: 2-(3-methylphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: 2-(3-methylphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C15H15NO2
MOLECULAR WEIGHT: 241.2851
SMILES: CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)CCCC3
Structure:
CAS RN: 59647-95-9
CAS Name: 2-(3-bromophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
OPENEYE Name: 2-(3-bromophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
IUPAC Name: 2-(3-bromophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: 2-(3-bromophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C14H12BrNO2
MOLECULAR WEIGHT: 306.15458
SMILES: C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)Br
Structure:
CAS RN: 59647-94-8
CAS Name: 2-(3-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
OPENEYE Name: 2-(3-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
IUPAC Name: 2-(3-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: 2-(3-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C14H12FNO2
MOLECULAR WEIGHT: 245.248983
SMILES: C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)F
Structure:
CAS RN: 59567-49-6
CAS Name: dimethyl-octadecyl-(1-phenylprop-2-enyl)ammonium chloride
OPENEYE Name: dimethyl-octadecyl-(1-phenylallyl)ammonium chloride
IUPAC Name: dimethyl-octadecyl-(1-phenylprop-2-enyl)azanium chloride
SYSTEMATIC NAME: dimethyl-octadecyl-(1-phenylprop-2-enyl)azanium chloride
MOLECULAR FORMULA: C29H52ClN
MOLECULAR WEIGHT: 450.18288
SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)C(C=C)C1=CC=CC=C1.[Cl-]
Structure:
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