CAS RN: 72797-06-9
CAS Name: chromium(3+); 4-[[3-(2,2-dimethylpropyl)-5-(dioxidoamino)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinylidene]-5-methyl-2-phenyl-3-pyrazolone; 4-[5-(2,2-dimethylpropyl)-3-nitro-2-oxidophenyl]azo-5-methyl-2-phenyl-3-pyrazololate; hydron
OPENEYE Name: chromic; 4-[[3-(2,2-dimethylpropyl)-5-(dioxidoamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazono]-5-methyl-2-phenyl-pyrazol-3-one; 4-[5-(2,2-dimethylpropyl)-3-nitro-2-oxido-phenyl]azo-5-methyl-2-phenyl-pyrazol-3-olate; hydron
IUPAC Name: chromium(3+); 4-[[3-(2,2-dimethylpropyl)-5-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one; 4-[[5-(2,2-dimethylpropyl)-3-nitro-2-oxidophenyl]diazenyl]-5-methyl-2-phenylpyrazol-3-olate; hydron
SYSTEMATIC NAME: 4-[[5-[bis(oxidanidyl)amino]-3-(2,2-dimethylpropyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenyl-pyrazol-3-one; chromium(3+); 4-[[5-(2,2-dimethylpropyl)-3-nitro-2-oxidanidyl-phenyl]diazenyl]-5-methyl-2-phenyl-pyrazol-3-o
MOLECULAR FORMULA: C42H43CrN10O8
MOLECULAR WEIGHT: 867.84912
SMILES: [H+].CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)CC(C)(C)C)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=O)C1=NN=C2C=C(C=C(C2=O)N([O-])[O-])CC(C)(C)C)C3=CC=CC=C3.[Cr+3]
Structure:
CAS RN: 72796-88-4
CAS Name: 2-[[1-[4-[4-[6-[2-[diethyl(methyl)ammonio]ethoxy]-1-bicyclo[4.2.0]octa-2,4,7-trienyl]phenyl]phenyl]-6-bicyclo[4.2.0]octa-2,4,7-trienyl]oxy]ethyl-diethyl-methylammonium; methyl sulfate
OPENEYE Name: 2-[[1-[4-[4-[6-[2-[diethyl(methyl)ammonio]ethoxy]-1-bicyclo[4.2.0]octa-2,4,7-trienyl]phenyl]phenyl]-6-bicyclo[4.2.0]octa-2,4,7-trienyl]oxy]ethyl-diethyl-methyl-ammonium; methyl sulfate
IUPAC Name: 2-[[1-[4-[4-[6-[2-[diethyl(methyl)azaniumyl]ethoxy]-1-bicyclo[4.2.0]octa-2,4,7-trienyl]phenyl]phenyl]-6-bicyclo[4.2.0]octa-2,4,7-trienyl]oxy]ethyl-diethyl-methylazanium; methyl sulfate
SYSTEMATIC NAME: 2-[[1-[4-[4-[6-[2-[diethyl(methyl)azaniumyl]ethoxy]-1-bicyclo[4.2.0]octa-2,4,7-trienyl]phenyl]phenyl]-6-bicyclo[4.2.0]octa-2,4,7-trienyl]oxy]ethyl-diethyl-methyl-azanium; methyl sulfate
MOLECULAR FORMULA: C43H57N2O6S+
MOLECULAR WEIGHT: 729.98748
SMILES: CC[N+](C)(CC)CCOC12C=CC=CC1(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C56C=CC=CC5(C=C6)OCC[N+](C)(CC)CC.COS(=O)(=O)[O-]
Structure:
CAS RN: 72785-17-2
CAS Name: formic acid 2,6-dimethyloctan-2-yl ester
OPENEYE Name: 1,1,5-trimethylheptyl formate
IUPAC Name: 2,6-dimethyloctan-2-yl formate
SYSTEMATIC NAME: 2,6-dimethyloctan-2-yl methanoate
MOLECULAR FORMULA: C11H22O2
MOLECULAR WEIGHT: 186.29118
SMILES: CCC(C)CCCC(C)(C)OC=O
Structure:
CAS RN: 72785-15-0
CAS Name: 7-methyl-1,4-dioxacycloheptadecane-5,17-dione
OPENEYE Name: 7-methyl-1,4-dioxacycloheptadecane-5,17-dione
IUPAC Name: 7-methyl-1,4-dioxacycloheptadecane-5,17-dione
SYSTEMATIC NAME: 7-methyl-1,4-dioxacycloheptadecane-5,17-dione
MOLECULAR FORMULA: C16H28O4
MOLECULAR WEIGHT: 284.39112
SMILES: CC1CCCCCCCCCC(=O)OCCOC(=O)C1
Structure:
CAS RN: 72785-12-7
CAS Name: formic acid (2-methyl-6-methyleneoctan-2-yl) ester
OPENEYE Name: (1,1-dimethyl-5-methylene-heptyl) formate
IUPAC Name: (2-methyl-6-methylideneoctan-2-yl) formate
SYSTEMATIC NAME: (2-methyl-6-methylidene-octan-2-yl) methanoate
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CCC(=C)CCCC(C)(C)OC=O
Structure:
CAS RN: 72785-11-6
CAS Name: 4-[5-(4-ethylcyclohexyl)-2-pyrimidinyl]benzonitrile
OPENEYE Name: 4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]benzonitrile
IUPAC Name: 4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]benzonitrile
SYSTEMATIC NAME: 4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]benzenecarbonitrile
MOLECULAR FORMULA: C19H21N3
MOLECULAR WEIGHT: 291.39014
SMILES: CCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N
Structure:
CAS RN: 72785-10-5
CAS Name: 4-[5-(4-heptylcyclohexyl)-2-pyrimidinyl]benzonitrile
OPENEYE Name: 4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]benzonitrile
IUPAC Name: 4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]benzonitrile
SYSTEMATIC NAME: 4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]benzenecarbonitrile
MOLECULAR FORMULA: C24H31N3
MOLECULAR WEIGHT: 361.52304
SMILES: CCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N
Structure:
CAS RN: 72785-08-1
CAS Name: 3-[3-(dimethylamino)propyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]-1-propanesulfonic acid
OPENEYE Name: 3-[3-(dimethylamino)propyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]propane-1-sulfonic acid
IUPAC Name: 3-[3-(dimethylamino)propyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]propane-1-sulfonic acid
SYSTEMATIC NAME: 3-[3-(dimethylamino)propyl-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfonyl]amino]propane-1-sulfonic acid
MOLECULAR FORMULA: C16H19F17N2O5S2
MOLECULAR WEIGHT: 706.435314
SMILES: CN(C)CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 72756-69-5
CAS Name: (2S)-2-[N-acetyl-4-[(5-methyl-3-isoxazolyl)sulfamoyl]anilino]-5-amino-5-oxopentanoic acid
OPENEYE Name: (2S)-2-[N-acetyl-4-[(5-methylisoxazol-3-yl)sulfamoyl]anilino]-5-amino-5-oxo-pentanoic acid
IUPAC Name: (2S)-2-[N-acetyl-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-amino-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-5-azanyl-2-[ethanoyl-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C17H20N4O7S
MOLECULAR WEIGHT: 424.4283
SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N([C@@H](CCC(=O)N)C(=O)O)C(=O)C
Structure:
CAS RN: 72756-67-3
CAS Name: (2S)-5-amino-2-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]anilino]-5-oxopentanoic acid
OPENEYE Name: (2S)-5-amino-2-[4-[(5-methylisoxazol-3-yl)sulfamoyl]anilino]-5-oxo-pentanoic acid
IUPAC Name: (2S)-5-amino-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-5-azanyl-2-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C15H18N4O6S
MOLECULAR WEIGHT: 382.39162
SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N[C@@H](CCC(=O)N)C(=O)O
Structure:
CAS RN: 72749-73-6
CAS Name: 2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]anilino]ethyl-trimethylammonium sulfate
OPENEYE Name: 2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]anilino]ethyl-trimethyl-ammonium sulfate
IUPAC Name: 2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethyl-trimethylazanium sulfate
SYSTEMATIC NAME: 2-[ethyl-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl]amino]ethyl-trimethyl-azanium sulfate
MOLECULAR FORMULA: C21H27N6O4S2-
MOLECULAR WEIGHT: 491.60688
SMILES: CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=NC(=NS2)C3=CC=CC=C3.[O-]S(=O)(=O)[O-]
Structure:
CAS RN: 72749-63-4
CAS Name: carbamic acid 2-[ethoxy(hydroxymethyl)phosphoryl]oxyethyl ester
OPENEYE Name: 2-[ethoxy(hydroxymethyl)phosphoryl]oxyethyl carbamate
IUPAC Name: 2-[ethoxy(hydroxymethyl)phosphoryl]oxyethyl carbamate
SYSTEMATIC NAME: 2-[ethoxy(hydroxymethyl)phosphoryl]oxyethyl carbamate
MOLECULAR FORMULA: C6H14NO6P
MOLECULAR WEIGHT: 227.152221
SMILES: CCOP(=O)(CO)OCCOC(=O)N
Structure:
CAS RN: 72731-33-0
CAS Name: 1-hydroxy-5-methoxy-6-methyl-2-pyridinone
OPENEYE Name: 1-hydroxy-5-methoxy-6-methyl-pyridin-2-one
IUPAC Name: 1-hydroxy-5-methoxy-6-methylpyridin-2-one
SYSTEMATIC NAME: 5-methoxy-6-methyl-1-oxidanyl-pyridin-2-one
MOLECULAR FORMULA: C7H9NO3
MOLECULAR WEIGHT: 155.15126
SMILES: CC1=C(C=CC(=O)N1O)OC
Structure:
CAS RN: 72727-69-6
CAS Name: 2-[(2,4-dibromo-5-methylphenoxy)methyl]oxirane
OPENEYE Name: 2-[(2,4-dibromo-5-methyl-phenoxy)methyl]oxirane
IUPAC Name: 2-[(2,4-dibromo-5-methylphenoxy)methyl]oxirane
SYSTEMATIC NAME: 2-[[2,4-bis(bromanyl)-5-methyl-phenoxy]methyl]oxirane
MOLECULAR FORMULA: C10H10Br2O2
MOLECULAR WEIGHT: 321.9932
SMILES: CC1=CC(=C(C=C1Br)Br)OCC2CO2
Structure:
CAS RN: 72727-68-5
CAS Name: 2-[[3-(3-bicyclo[2.2.1]heptanyl)-2-methylpropylidene]amino]benzoic acid methyl ester
OPENEYE Name: methyl 2-[(2-methyl-3-norbornan-2-yl-propylidene)amino]benzoate
IUPAC Name: methyl 2-[[3-(3-bicyclo[2.2.1]heptanyl)-2-methylpropylidene]amino]benzoate
SYSTEMATIC NAME: methyl 2-[[3-(3-bicyclo[2.2.1]heptanyl)-2-methyl-propylidene]amino]benzoate
MOLECULAR FORMULA: C19H25NO2
MOLECULAR WEIGHT: 299.4073
SMILES: CC(CC1CC2CCC1C2)C=NC3=CC=CC=C3C(=O)OC
Structure:
CAS RN: 72727-65-2
CAS Name: 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanol
OPENEYE Name: 1-decalin-2-ylethanol
IUPAC Name: 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanol
SYSTEMATIC NAME: 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanol
MOLECULAR FORMULA: C12H22O
MOLECULAR WEIGHT: 182.30248
SMILES: CC(C1CCC2CCCCC2C1)O
Structure:
CAS RN: 72727-64-1
CAS Name: 2-ethoxypropan-2-ylcyclohexane
OPENEYE Name: (1-ethoxy-1-methyl-ethyl)cyclohexane
IUPAC Name: 2-ethoxypropan-2-ylcyclohexane
SYSTEMATIC NAME: 2-ethoxypropan-2-ylcyclohexane
MOLECULAR FORMULA: C11H22O
MOLECULAR WEIGHT: 170.29178
SMILES: CCOC(C)(C)C1CCCCC1
Structure:
CAS RN: 72727-63-0
CAS Name: 10-undecenoic acid 2-phenylethyl ester
OPENEYE Name: 2-phenylethyl undec-10-enoate
IUPAC Name: 2-phenylethyl undec-10-enoate
SYSTEMATIC NAME: 2-phenylethyl undec-10-enoate
MOLECULAR FORMULA: C19H28O2
MOLECULAR WEIGHT: 288.42442
SMILES: C=CCCCCCCCCC(=O)OCCC1=CC=CC=C1
Structure:
CAS RN: 72727-62-9
CAS Name: acetic acid (3,3-dimethyl-4-phenylbutan-2-yl) ester
OPENEYE Name: (1,2,2-trimethyl-3-phenyl-propyl) acetate
IUPAC Name: (3,3-dimethyl-4-phenylbutan-2-yl) acetate
SYSTEMATIC NAME: (3,3-dimethyl-4-phenyl-butan-2-yl) ethanoate
MOLECULAR FORMULA: C14H20O2
MOLECULAR WEIGHT: 220.3074
SMILES: CC(C(C)(C)CC1=CC=CC=C1)OC(=O)C
Structure:
CAS RN: 72727-61-8
CAS Name: acetic acid 1-cyclohexyloxypropan-2-yl ester
OPENEYE Name: [2-(cyclohexoxy)-1-methyl-ethyl] acetate
IUPAC Name: 1-cyclohexyloxypropan-2-yl acetate
SYSTEMATIC NAME: 1-cyclohexyloxypropan-2-yl ethanoate
MOLECULAR FORMULA: C11H20O3
MOLECULAR WEIGHT: 200.2747
SMILES: CC(COC1CCCCC1)OC(=O)C
Structure:
CAS RN: 72727-60-7
CAS Name: 4-cyclohexyl-3,3-dimethyl-2-butanol
OPENEYE Name: 4-cyclohexyl-3,3-dimethyl-butan-2-ol
IUPAC Name: 4-cyclohexyl-3,3-dimethylbutan-2-ol
SYSTEMATIC NAME: 4-cyclohexyl-3,3-dimethyl-butan-2-ol
MOLECULAR FORMULA: C12H24O
MOLECULAR WEIGHT: 184.31836
SMILES: CC(C(C)(C)CC1CCCCC1)O
Structure:
CAS RN: 72727-59-4
CAS Name: (3,3-dimethoxy-2,2-dimethylpropyl)benzene
OPENEYE Name: (3,3-dimethoxy-2,2-dimethyl-propyl)benzene
IUPAC Name: (3,3-dimethoxy-2,2-dimethylpropyl)benzene
SYSTEMATIC NAME: (3,3-dimethoxy-2,2-dimethyl-propyl)benzene
MOLECULAR FORMULA: C13H20O2
MOLECULAR WEIGHT: 208.2967
SMILES: CC(C)(CC1=CC=CC=C1)C(OC)OC
Structure:
CAS RN: 72727-57-2
CAS Name: 2-(2-methyl-1,3-dioxolan-2-yl)heptanoic acid ethyl ester
OPENEYE Name: ethyl 2-(2-methyl-1,3-dioxolan-2-yl)heptanoate
IUPAC Name: ethyl 2-(2-methyl-1,3-dioxolan-2-yl)heptanoate
SYSTEMATIC NAME: ethyl 2-(2-methyl-1,3-dioxolan-2-yl)heptanoate
MOLECULAR FORMULA: C13H24O4
MOLECULAR WEIGHT: 244.32726
SMILES: CCCCCC(C(=O)OCC)C1(OCCO1)C
Structure:
CAS RN: 72727-56-1
CAS Name: 1-methyl-3-(4-methylpent-3-enyl)-1-cyclohex-3-enecarboxylic acid 2-methylpropyl ester
OPENEYE Name: isobutyl 1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate
IUPAC Name: 2-methylpropyl 1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: 2-methylpropyl 1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C18H30O2
MOLECULAR WEIGHT: 278.4296
SMILES: CC(C)COC(=O)C1(CCC=C(C1)CCC=C(C)C)C
Structure:
CAS RN: 72727-55-0
CAS Name: 1-methyl-4-(4-methylpent-3-enyl)-1-cyclohex-3-enecarboxylic acid 2-methylpropyl ester
OPENEYE Name: isobutyl 1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate
IUPAC Name: 2-methylpropyl 1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: 2-methylpropyl 1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C18H30O2
MOLECULAR WEIGHT: 278.4296
SMILES: CC(C)COC(=O)C1(CCC(=CC1)CCC=C(C)C)C
Structure:
CAS RN: 72727-54-9
CAS Name: ammonium; 2-aminoethanol; sulfuric acid; phenoxide
OPENEYE Name: ammonium; 2-aminoethanol; sulfuric acid; phenoxide
IUPAC Name: azanium; 2-aminoethanol; sulfuric acid; phenoxide
SYSTEMATIC NAME: azanium; 2-azanylethanol; sulfuric acid; phenoxide
MOLECULAR FORMULA: C8H18N2O6S
MOLECULAR WEIGHT: 270.30332
SMILES: C1=CC=C(C=C1)[O-].C(CO)N.[NH4+].OS(=O)(=O)O
Structure:
CAS RN: 72719-54-1
CAS Name: 2-(4-ethenyl-1-pyridin-1-iumyl)acetic acid bromide
OPENEYE Name: 2-(4-vinylpyridin-1-ium-1-yl)acetic acid bromide
IUPAC Name: 2-(4-ethenylpyridin-1-ium-1-yl)acetic acid bromide
SYSTEMATIC NAME: 2-(4-ethenylpyridin-1-ium-1-yl)ethanoic acid bromide
MOLECULAR FORMULA: C9H10BrNO2
MOLECULAR WEIGHT: 244.0852
SMILES: C=CC1=CC=[N+](C=C1)CC(=O)O.[Br-]
Structure:
CAS RN: 72705-24-9
CAS Name: ammonium sodium 2-[4-[1-(2-methoxy-5-methyl-4-sulfonatoanilino)-1,3-dioxobutan-2-yl]azophenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
OPENEYE Name: ammonium sodium 2-[4-[1-[(2-methoxy-5-methyl-4-sulfonato-phenyl)carbamoyl]-2-oxo-propyl]azophenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
IUPAC Name: azanium sodium 2-[4-[[1-(2-methoxy-5-methyl-4-sulfonatoanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
SYSTEMATIC NAME: azanium sodium 2-[4-[[1-[(2-methoxy-5-methyl-4-sulfonato-phenyl)amino]-1,3-bis(oxidanylidene)butan-2-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
MOLECULAR FORMULA: C26H26N5NaO9S3
MOLECULAR WEIGHT: 671.69751
SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC(C(=O)C)C(=O)NC4=C(C=C(C(=C4)C)S(=O)(=O)[O-])OC)S(=O)(=O)[O-].[NH4+].[Na+]
Structure:
CAS RN: 72705-22-7
CAS Name: ammonium 4-(1,3-dioxobutylamino)-5-methoxy-2-methylbenzenesulfonate
OPENEYE Name: ammonium 5-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonate
IUPAC Name: azanium 5-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonate
SYSTEMATIC NAME: azanium 5-methoxy-2-methyl-4-(3-oxidanylidenebutanoylamino)benzenesulfonate
MOLECULAR FORMULA: C12H18N2O6S
MOLECULAR WEIGHT: 318.34612
SMILES: CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)NC(=O)CC(=O)C.[NH4+]
Structure:
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