Product OPENEYE NAME: 4-isopropylbenzenesulfonic acid
CAS Name: 4-propan-2-ylbenzenesulfonic acid
IUPAC NAME: 4-propan-2-ylbenzenesulfonic acid
SYSTEMATIC NAME: 4-propan-2-ylbenzenesulfonic acid
MOLECULAR FORMULA: C9H12O3S
MOLECULAR WEIGHT: 200.25478
SMILES: CC(C)C1=CC=C(C=C1)S(=O)(=O)O
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Product OPENEYE NAME: [1-methyl-1-(1-methyl-1-phenyl-ethyl)peroxy-ethyl]benzene
CAS Name: 2-(2-phenylpropan-2-yldioxy)propan-2-ylbenzene
IUPAC NAME: 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
SYSTEMATIC NAME: 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
MOLECULAR FORMULA: C18H22O2
MOLECULAR WEIGHT: 270.36608
SMILES: CC(C)(C1=CC=CC=C1)OOC(C)(C)C2=CC=CC=C2
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Product OPENEYE NAME: butyl benzenesulfonate
CAS Name: benzenesulfonic acid butyl ester
IUPAC NAME: butyl benzenesulfonate
SYSTEMATIC NAME: butyl benzenesulfonate
MOLECULAR FORMULA: C10H14O3S
MOLECULAR WEIGHT: 214.28136
SMILES: CCCCOS(=O)(=O)C1=CC=CC=C1
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Product OPENEYE NAME: 4-(1,1-dimethylpropyl)phenol
CAS Name: 4-(2-methylbutan-2-yl)phenol
IUPAC NAME: 4-(2-methylbutan-2-yl)phenol
SYSTEMATIC NAME: 4-(2-methylbutan-2-yl)phenol
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CCC(C)(C)C1=CC=C(C=C1)O
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Product OPENEYE NAME: 1-(1-hydroperoxy-1-methyl-ethyl)-4-methyl-cyclohexane
CAS Name: 1-(2-hydroperoxypropan-2-yl)-4-methylcyclohexane
IUPAC NAME: 1-(2-hydroperoxypropan-2-yl)-4-methylcyclohexane
SYSTEMATIC NAME: 1-[2-(dioxidanyl)propan-2-yl]-4-methyl-cyclohexane
MOLECULAR FORMULA: C10H20O2
MOLECULAR WEIGHT: 172.2646
SMILES: CC1CCC(CC1)C(C)(C)OO
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Product OPENEYE NAME: methyl 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid methyl ester
IUPAC NAME: methyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: methyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C8H10O3S
MOLECULAR WEIGHT: 186.2282
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC
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Product OPENEYE NAME: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenyl-acetate bromide
CAS Name: 2-hydroxy-2-phenylacetic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide
IUPAC NAME: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate bromide
SYSTEMATIC NAME: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2-phenyl-ethanoate bromide
MOLECULAR FORMULA: C17H24BrNO3
MOLECULAR WEIGHT: 370.28136
SMILES: C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)C.[Br-]
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Product OPENEYE NAME: [(1R,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate bromide
CAS Name: 2-propylpentanoic acid [(1R,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester bromide
IUPAC NAME: [(1R,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate bromide
SYSTEMATIC NAME: [(1R,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate bromide
MOLECULAR FORMULA: C17H32BrNO2
MOLECULAR WEIGHT: 362.34548
SMILES: CCCC(CCC)C(=O)OC1C[C@H]2CC[C@H](C1)[N+]2(C)C.[Br-]
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Product OPENEYE NAME: [(1R,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate
CAS Name: 2-propylpentanoic acid [(1R,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester
IUPAC NAME: [(1R,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate
SYSTEMATIC NAME: [(1R,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate
MOLECULAR FORMULA: C17H32NO2+
MOLECULAR WEIGHT: 282.44148
SMILES: CCCC(CCC)C(=O)OC1C[C@H]2CC[C@H](C1)[N+]2(C)C
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Product OPENEYE NAME: 4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide
CAS Name: 4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide
IUPAC NAME: 4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide
SYSTEMATIC NAME: 4-[4-(aminosulfamoyl)phenoxy]benzenesulfonohydrazide
MOLECULAR FORMULA: C12H14N4O5S2
MOLECULAR WEIGHT: 358.39336
SMILES: C1=CC(=CC=C1OC2=CC=C(C=C2)S(=O)(=O)NN)S(=O)(=O)NN
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Product OPENEYE NAME: 4-(1-amino-1-methyl-ethyl)-1-methyl-cyclohexanamine
CAS Name: 4-(2-aminopropan-2-yl)-1-methyl-1-cyclohexanamine
IUPAC NAME: 4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine
SYSTEMATIC NAME: 4-(2-azanylpropan-2-yl)-1-methyl-cyclohexan-1-amine
MOLECULAR FORMULA: C10H22N2
MOLECULAR WEIGHT: 170.29508
SMILES: CC1(CCC(CC1)C(C)(C)N)N
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Product OPENEYE NAME: 4-(1-hydroxy-1-methyl-ethyl)-1-methyl-cyclohexanol
CAS Name: 4-(2-hydroxypropan-2-yl)-1-methyl-1-cyclohexanol
IUPAC NAME: 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol
SYSTEMATIC NAME: 1-methyl-4-(2-oxidanylpropan-2-yl)cyclohexan-1-ol
MOLECULAR FORMULA: C10H20O2
MOLECULAR WEIGHT: 172.2646
SMILES: CC1(CCC(CC1)C(C)(C)O)O
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