CAS RN: 15672-98-7
CAS Name: chloro(3,3-dimethylbutyl)mercury
OPENEYE Name: chloro(3,3-dimethylbutyl)mercury
IUPAC Name: chloro(3,3-dimethylbutyl)mercury
SYSTEMATIC NAME: chloranyl(3,3-dimethylbutyl)mercury
MOLECULAR FORMULA: C6H13ClHg
MOLECULAR WEIGHT: 321.21042
SMILES: CC(C)(C)CC[Hg]Cl
Structure:
CAS RN: 27151-78-6
CAS Name: chloro-(11-methoxy-11-oxoundecyl)mercury
OPENEYE Name: chloro-(11-methoxy-11-oxo-undecyl)mercury
IUPAC Name: chloro-(11-methoxy-11-oxoundecyl)mercury
SYSTEMATIC NAME: chloranyl-(11-methoxy-11-oxidanylidene-undecyl)mercury
MOLECULAR FORMULA: C12H23ClHgO2
MOLECULAR WEIGHT: 435.35282
SMILES: COC(=O)CCCCCCCCCC[Hg]Cl
Structure:
CAS RN: 27190-78-9
CAS Name: chloro(2-phenylpropyl)mercury
OPENEYE Name: chloro(2-phenylpropyl)mercury
IUPAC Name: chloro(2-phenylpropyl)mercury
SYSTEMATIC NAME: chloranyl(2-phenylpropyl)mercury
MOLECULAR FORMULA: C9H11ClHg
MOLECULAR WEIGHT: 355.22664
SMILES: CC(C[Hg]Cl)C1=CC=CC=C1
Structure:
CAS RN: 27151-80-0
CAS Name: chloro-[2-(1-cyclohex-3-enyl)ethyl]mercury
OPENEYE Name: chloro(2-cyclohex-3-en-1-ylethyl)mercury
IUPAC Name: chloro(2-cyclohex-3-en-1-ylethyl)mercury
SYSTEMATIC NAME: chloranyl(2-cyclohex-3-en-1-ylethyl)mercury
MOLECULAR FORMULA: C8H13ClHg
MOLECULAR WEIGHT: 345.23182
SMILES: C1CC(CC=C1)CC[Hg]Cl
Structure:
CAS RN: 36525-00-5
CAS Name: chloro(pent-1-enyl)mercury
OPENEYE Name: chloro(pent-1-enyl)mercury
IUPAC Name: chloro(pent-1-enyl)mercury
SYSTEMATIC NAME: chloranyl(pent-1-enyl)mercury
MOLECULAR FORMULA: C5H9ClHg
MOLECULAR WEIGHT: 305.16796
SMILES: CCCC=C[Hg]Cl
Structure:
CAS RN: 27494-98-0
CAS Name: chloro-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]mercury
OPENEYE Name: chloro-[(6,6-dimethylnorpinan-2-yl)methyl]mercury
IUPAC Name: chloro-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]mercury
SYSTEMATIC NAME: chloranyl-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]mercury
MOLECULAR FORMULA: C10H17ClHg
MOLECULAR WEIGHT: 373.28498
SMILES: CC1(C2CCC(C1C2)C[Hg]Cl)C
Structure:
CAS RN: 23686-03-5
CAS Name: 1,3,6-triphenyl-4H-pyridazine
OPENEYE Name: 1,3,6-triphenyl-4H-pyridazine
IUPAC Name: 1,3,6-triphenyl-4H-pyridazine
SYSTEMATIC NAME: 1,3,6-triphenyl-4H-pyridazine
MOLECULAR FORMULA: C22H18N2
MOLECULAR WEIGHT: 310.39172
SMILES: C1C=C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 27219-17-6
CAS Name: 1-phenyl-2-(2,4,6-triphenyl-4-phenyldiazenyl-3,5-dihydropyridazin-3-yl)hydrazine
OPENEYE Name: 1-phenyl-2-(2,4,6-triphenyl-4-phenylazo-3,5-dihydropyridazin-3-yl)hydrazine
IUPAC Name: 1-phenyl-2-(2,4,6-triphenyl-4-phenyldiazenyl-3,5-dihydropyridazin-3-yl)hydrazine
SYSTEMATIC NAME: 1-phenyl-2-(2,4,6-triphenyl-4-phenyldiazenyl-3,5-dihydropyridazin-3-yl)diazane
MOLECULAR FORMULA: C34H30N6
MOLECULAR WEIGHT: 522.6422
SMILES: C1C(=NN(C(C1(C2=CC=CC=C2)N=NC3=CC=CC=C3)NNC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 53670-09-0
CAS Name: phenyl-(2,3,6-triphenyl-4,5-dihydropyridazin-3-yl)diazene
OPENEYE Name: phenyl-(2,3,6-triphenyl-4,5-dihydropyridazin-3-yl)diazene
IUPAC Name: phenyl-(2,3,6-triphenyl-4,5-dihydropyridazin-3-yl)diazene
SYSTEMATIC NAME: phenyl-(2,3,6-triphenyl-4,5-dihydropyridazin-3-yl)diazene
MOLECULAR FORMULA: C28H24N4
MOLECULAR WEIGHT: 416.51696
SMILES: C1CC(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=CC=C4)N=NC5=CC=CC=C5
Structure:
CAS RN: 13465-41-3
CAS Name: permanganic acid
OPENEYE Name: permanganic acid
IUPAC Name: permanganic acid
SYSTEMATIC NAME: permanganic acid
MOLECULAR FORMULA: HMnO4
MOLECULAR WEIGHT: 119.943589
SMILES: O[Mn](=O)(=O)=O
Structure:
CAS RN: 59474-01-0
CAS Name: carbamimidothioic acid (10-methyl-9-anthracenyl)methyl ester
OPENEYE Name: 2-[(10-methyl-9-anthryl)methyl]isothiourea
IUPAC Name: (10-methylanthracen-9-yl)methyl carbamimidothioate
SYSTEMATIC NAME: (10-methylanthracen-9-yl)methyl carbamimidothioate
MOLECULAR FORMULA: C17H16N2S
MOLECULAR WEIGHT: 280.38734
SMILES: CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CSC(=N)N
Structure:
CAS RN: 14026-87-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H16O3
MOLECULAR WEIGHT: 244.28574
SMILES: CC1=C2C(CC1=O)C3(CC3C4C2OC(=O)C4=C)C
Structure:
CAS RN: 4135-85-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H54N2O12
MOLECULAR WEIGHT: 754.86296
SMILES: CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C2CN(C)C)O)O)C
Structure:
CAS RN: 73384-82-4
CAS Name: 3-bromo-1-propanesulfonic acid
OPENEYE Name: 3-bromopropane-1-sulfonic acid
IUPAC Name: 3-bromopropane-1-sulfonic acid
SYSTEMATIC NAME: 3-bromanylpropane-1-sulfonic acid
MOLECULAR FORMULA: C3H7BrO3S
MOLECULAR WEIGHT: 203.05488
SMILES: C(CS(=O)(=O)O)CBr
Structure:
CAS RN: 30697-93-9
CAS Name: 3-diphenylphosphoryl-2-methylpropanoic acid
OPENEYE Name: 3-diphenylphosphoryl-2-methyl-propanoic acid
IUPAC Name: 3-diphenylphosphoryl-2-methylpropanoic acid
SYSTEMATIC NAME: 3-diphenylphosphoryl-2-methyl-propanoic acid
MOLECULAR FORMULA: C16H17O3P
MOLECULAR WEIGHT: 288.278141
SMILES: CC(CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 29874-10-0
CAS Name: 3-diphenylphosphorylpropanoic acid
OPENEYE Name: 3-diphenylphosphorylpropanoic acid
IUPAC Name: 3-diphenylphosphorylpropanoic acid
SYSTEMATIC NAME: 3-diphenylphosphorylpropanoic acid
MOLECULAR FORMULA: C15H15O3P
MOLECULAR WEIGHT: 274.251561
SMILES: C1=CC=C(C=C1)P(=O)(CCC(=O)O)C2=CC=CC=C2
Structure:
CAS RN: 61367-07-5
CAS Name: 4-amino-1-cyclohexanecarboxylic acid methyl ester
OPENEYE Name: methyl 4-aminocyclohexanecarboxylate
IUPAC Name: methyl 4-aminocyclohexane-1-carboxylate
SYSTEMATIC NAME: methyl 4-azanylcyclohexane-1-carboxylate
MOLECULAR FORMULA: C8H15NO2
MOLECULAR WEIGHT: 157.2102
SMILES: COC(=O)C1CCC(CC1)N
Structure:
CAS RN: 141290-59-7
CAS Name: 1H-indazole-6-carbonitrile
OPENEYE Name: 1H-indazole-6-carbonitrile
IUPAC Name: 1H-indazole-6-carbonitrile
SYSTEMATIC NAME: 1H-indazole-6-carbonitrile
MOLECULAR FORMULA: C8H5N3
MOLECULAR WEIGHT: 143.1454
SMILES: C1=CC2=C(C=C1C#N)NN=C2
Structure:
CAS RN: 38913-32-5
CAS Name: 8-chloro-4-oxo-5-[2-(4-phenylphenyl)ethyl]-1H-quinoline-3-carboxylic acid
OPENEYE Name: 8-chloro-4-oxo-5-[2-(4-phenylphenyl)ethyl]-1H-quinoline-3-carboxylic acid
IUPAC Name: 8-chloro-4-oxo-5-[2-(4-phenylphenyl)ethyl]-1H-quinoline-3-carboxylic acid
SYSTEMATIC NAME: 8-chloranyl-4-oxidanylidene-5-[2-(4-phenylphenyl)ethyl]-1H-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C24H18ClNO3
MOLECULAR WEIGHT: 403.85762
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CCC3=C4C(=C(C=C3)Cl)NC=C(C4=O)C(=O)O
Structure:
CAS RN: 496-12-8
CAS Name: 2,3-dihydro-1H-isoindole
OPENEYE Name: isoindoline
IUPAC Name: 2,3-dihydro-1H-isoindole
SYSTEMATIC NAME: 2,3-dihydro-1H-isoindole
MOLECULAR FORMULA: C8H9N
MOLECULAR WEIGHT: 119.16376
SMILES: C1C2=CC=CC=C2CN1
Structure:
CAS RN: 50874-39-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H10Cl4O4
MOLECULAR WEIGHT: 372.0281
SMILES: COC1(C2(C3C4C1(C5(C2(C(C5C4=O)C3=O)Cl)Cl)Cl)Cl)OC
Structure:
CAS RN: 25230-72-2
CAS Name: cyclohepta-1,3,5-triene; trihydroxy(oxo)-$l^{5}-chlorane
OPENEYE Name: cyclohepta-1,3,5-triene; trihydroxy(oxo)-$l^{5}-chlorane
IUPAC Name: cyclohepta-1,3,5-triene; trihydroxy(oxo)-$l^{5}-chlorane
SYSTEMATIC NAME: cyclohepta-1,3,5-triene; tris(oxidanyl)-oxidanylidene-$l^{5}-chlorane
MOLECULAR FORMULA: C7H11ClO4
MOLECULAR WEIGHT: 194.61284
SMILES: C1C=CC=CC=C1.OCl(=O)(O)O
Structure:
CAS RN: 2858-02-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H26O
MOLECULAR WEIGHT: 450.56964
SMILES: C1C=CC2C1C3(C(=C(C2(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
Structure:
CAS RN: 38942-75-5
CAS Name: 1-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyl-4-oxanyl]-3-butylurea
OPENEYE Name: 1-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]-3-butyl-urea
IUPAC Name: 1-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-3-butylurea
SYSTEMATIC NAME: 1-butyl-3-[6-[[3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]urea
MOLECULAR FORMULA: C32H38N2O11
MOLECULAR WEIGHT: 626.65092
SMILES: CCCCNC(=O)NC1CC(OC(C1O)C)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O
Structure:
CAS RN: 30760-80-6
CAS Name: 2-[2-(2-aminoethyl)-4-thiazolyl]-4-thiazolecarboxylic acid
OPENEYE Name: 2-[2-(2-aminoethyl)thiazol-4-yl]thiazole-4-carboxylic acid
IUPAC Name: 2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid
SYSTEMATIC NAME: 2-[2-(2-azanylethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid
MOLECULAR FORMULA: C9H9N3O2S2
MOLECULAR WEIGHT: 255.31666
SMILES: C1=C(N=C(S1)CCN)C2=NC(=CS2)C(=O)O
Structure:
CAS RN: 39011-77-3
CAS Name: 1-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyl-4-oxanyl]-3-methylurea
OPENEYE Name: 1-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]-3-methyl-urea
IUPAC Name: 1-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-3-methylurea
SYSTEMATIC NAME: 1-[6-[[3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]-3-methyl-urea
MOLECULAR FORMULA: C29H32N2O11
MOLECULAR WEIGHT: 584.57118
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)NC(=O)NC)O
Structure:
CAS RN: 16047-95-3
CAS Name: 3,3-dimethyl-1,1-bis(phenylmethyl)azetidin-1-ium
OPENEYE Name: 1,1-dibenzyl-3,3-dimethyl-azetidin-1-ium
IUPAC Name: 1,1-dibenzyl-3,3-dimethylazetidin-1-ium
SYSTEMATIC NAME: 3,3-dimethyl-1,1-bis(phenylmethyl)azetidin-1-ium
MOLECULAR FORMULA: C19H24N+
MOLECULAR WEIGHT: 266.40056
SMILES: CC1(C[N+](C1)(CC2=CC=CC=C2)CC3=CC=CC=C3)C
Structure:
CAS RN: 50561-98-3
CAS Name: 2,2-difluoroethylbenzene
OPENEYE Name: 2,2-difluoroethylbenzene
IUPAC Name: 2,2-difluoroethylbenzene
SYSTEMATIC NAME: 2,2-bis(fluoranyl)ethylbenzene
MOLECULAR FORMULA: C8H8F2
MOLECULAR WEIGHT: 142.145926
SMILES: C1=CC=C(C=C1)CC(F)F
Structure:
CAS RN: 5344-51-4
CAS Name: 1,4-dithioniabicyclo[2.2.2]octane
OPENEYE Name: 1,4-dithioniabicyclo[2.2.2]octane
IUPAC Name: 1,4-dithioniabicyclo[2.2.2]octane
SYSTEMATIC NAME: 1,4-dithioniabicyclo[2.2.2]octane
MOLECULAR FORMULA: C6H12S2+2
MOLECULAR WEIGHT: 148.28948
SMILES: C1C[S+]2CC[S+]1CC2
Structure:
CAS RN: 15586-23-9
CAS Name: 1-isocyanohexane
OPENEYE Name: 1-isocyanohexane
IUPAC Name: 1-isocyanohexane
SYSTEMATIC NAME: 1-isocyanohexane
MOLECULAR FORMULA: C7H13N
MOLECULAR WEIGHT: 111.18482
SMILES: CCCCCC[N+]#[C-]
Structure:
CAS RN: 32528-87-3
CAS Name: (1-isocyano-1-phenylethyl)benzene
OPENEYE Name: (1-isocyano-1-phenyl-ethyl)benzene
IUPAC Name: (1-isocyano-1-phenylethyl)benzene
SYSTEMATIC NAME: (1-isocyano-1-phenyl-ethyl)benzene
MOLECULAR FORMULA: C15H13N
MOLECULAR WEIGHT: 207.27042
SMILES: CC(C1=CC=CC=C1)(C2=CC=CC=C2)[N+]#[C-]
Structure:
CAS RN: 49707-54-2
CAS Name: 2-isocyanobutan-2-ylbenzene
OPENEYE Name: (1-isocyano-1-methyl-propyl)benzene
IUPAC Name: 2-isocyanobutan-2-ylbenzene
SYSTEMATIC NAME: 2-isocyanobutan-2-ylbenzene
MOLECULAR FORMULA: C11H13N
MOLECULAR WEIGHT: 159.22762
SMILES: CCC(C)(C1=CC=CC=C1)[N+]#[C-]
Structure:
CAS RN: 53152-70-8
CAS Name: (2-isocyano-2-methyl-1-phenylcyclopropyl)benzene
OPENEYE Name: (2-isocyano-2-methyl-1-phenyl-cyclopropyl)benzene
IUPAC Name: (2-isocyano-2-methyl-1-phenylcyclopropyl)benzene
SYSTEMATIC NAME: (2-isocyano-2-methyl-1-phenyl-cyclopropyl)benzene
MOLECULAR FORMULA: C17H15N
MOLECULAR WEIGHT: 233.3077
SMILES: CC1(CC1(C2=CC=CC=C2)C3=CC=CC=C3)[N+]#[C-]
Structure:
CAS RN: 32251-38-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H18O6
MOLECULAR WEIGHT: 330.33192
SMILES: CC1CCC2=C(C3C4C(C2(C1)C5C3C(=O)OC5=O)C(=O)OC4=O)C
Structure:
CAS RN: 27621-83-6
CAS Name: [2-(diphenylmethylene)cyclohexyl]-bis(4-methylphenyl)methanol
OPENEYE Name: (2-benzhydrylidenecyclohexyl)-bis(p-tolyl)methanol
IUPAC Name: (2-benzhydrylidenecyclohexyl)-bis(4-methylphenyl)methanol
SYSTEMATIC NAME: [2-(diphenylmethylidene)cyclohexyl]-bis(4-methylphenyl)methanol
MOLECULAR FORMULA: C34H34O
MOLECULAR WEIGHT: 458.63316
SMILES: CC1=CC=C(C=C1)C(C2CCCCC2=C(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=C(C=C5)C)O
Structure:
CAS RN: 27621-82-5
CAS Name: [2-(diphenylmethylene)cyclohexyl]-diphenylmethanol
OPENEYE Name: (2-benzhydrylidenecyclohexyl)-diphenyl-methanol
IUPAC Name: (2-benzhydrylidenecyclohexyl)-diphenylmethanol
SYSTEMATIC NAME: [2-(diphenylmethylidene)cyclohexyl]-diphenyl-methanol
MOLECULAR FORMULA: C32H30O
MOLECULAR WEIGHT: 430.58
SMILES: C1CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C(C1)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
Structure:
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