CAS RN: 103629-94-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H48O2
MOLECULAR WEIGHT: 428.69022
SMILES: C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C[C@@H]([C@@H]5[C@]3(C4)CC[C@@H](C5)O)O)C)C
Structure:
CAS RN: 103601-29-2
CAS Name: tetrasodium; dichlorotin; phosphonato phosphate
OPENEYE Name: tetrasodium; dichlorotin; phosphonato phosphate
IUPAC Name: tetrasodium; dichlorotin; phosphonato phosphate
SYSTEMATIC NAME: tetrasodium; bis(chloranyl)tin; phosphonato phosphate
MOLECULAR FORMULA: Cl2Na4O7P2Sn
MOLECULAR WEIGHT: 455.518402
SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].Cl[Sn]Cl
Structure:
CAS RN: 103598-77-2
CAS Name: 4-tert-butylphenol; carbonic dichloride; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
OPENEYE Name: 4-tert-butylphenol; carbonyl dichloride; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol
IUPAC Name: 4-tert-butylphenol; carbonyl dichloride; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: 4-tert-butylphenol; carbonyl dichloride; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
MOLECULAR FORMULA: C26H30Cl2O4
MOLECULAR WEIGHT: 477.42
SMILES: CC(C)(C)C1=CC=C(C=C1)O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C(=O)(Cl)Cl
Structure:
CAS RN: 111353-91-4
CAS Name: 4-tert-butylphenol; carbonic dichloride; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
OPENEYE Name: 4-tert-butylphenol; carbonyl dichloride; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol
IUPAC Name: 4-tert-butylphenol; carbonyl dichloride; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: 4-tert-butylphenol; carbonyl dichloride; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
MOLECULAR FORMULA: C26H30Cl2O4
MOLECULAR WEIGHT: 477.42
SMILES: CC(C)(C)C1=CC=C(C=C1)O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C(=O)(Cl)Cl
Structure:
CAS RN: 103591-48-6
CAS Name: buta-1,3-diene; N-ethylethanamine; furan-2,5-dione; styrene
OPENEYE Name: buta-1,3-diene; N-ethylethanamine; furan-2,5-dione; styrene
IUPAC Name: buta-1,3-diene; N-ethylethanamine; furan-2,5-dione; styrene
SYSTEMATIC NAME: buta-1,3-diene; ethenylbenzene; N-ethylethanamine; furan-2,5-dione
MOLECULAR FORMULA: C20H27NO3
MOLECULAR WEIGHT: 329.43328
SMILES: CCNCC.C=CC=C.C=CC1=CC=CC=C1.C1=CC(=O)OC1=O
Structure:
CAS RN: 103588-73-4
CAS Name: 1-nitroso-1-(trimethylgermylmethyl)urea
OPENEYE Name: 1-nitroso-1-(trimethylgermylmethyl)urea
IUPAC Name: 1-nitroso-1-(trimethylgermylmethyl)urea
SYSTEMATIC NAME: 1-nitroso-1-(trimethylgermylmethyl)urea
MOLECULAR FORMULA: C5H13GeN3O2
MOLECULAR WEIGHT: 219.81562
SMILES: C[Ge](C)(C)CN(C(=O)N)N=O
Structure:
CAS RN: 103570-32-7
CAS Name: butane-1,4-diol; 1,6-diisocyanatohexane; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; 2-methyloxirane
OPENEYE Name: adipic acid; butane-1,4-diol; 1,6-diisocyanatohexane; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; 2-methyloxirane
IUPAC Name: butane-1,4-diol; 1,6-diisocyanatohexane; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; 2-methyloxirane
SYSTEMATIC NAME: butane-1,4-diol; 1,6-diisocyanatohexane; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; 2-methyloxirane
MOLECULAR FORMULA: C50H96N4O18
MOLECULAR WEIGHT: 1041.31324
SMILES: CCC(CO)(CO)CO.CC1CO1.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.CC(C)(CO)CO.C(CCCN=C=O)CCN=C=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(CCO)CO
Structure:
CAS RN: 103570-31-6
CAS Name: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; isobenzofuran-1,3-dione; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
OPENEYE Name: adipic acid; 2,2-dimethylpropane-1,3-diol; ethylene glycol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; isobenzofuran-1,3-dione; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
IUPAC Name: 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
SYSTEMATIC NAME: 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
MOLECULAR FORMULA: C45H78N2O18
MOLECULAR WEIGHT: 935.10342
SMILES: CCC(CO)(CO)CO.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.CC(C)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(CO)O
Structure:
CAS RN: 103513-16-2
CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyloxirane; oxirane; 2-propenenitrile; styrene
OPENEYE Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyloxirane; oxirane; prop-2-enenitrile; styrene
IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyloxirane; oxirane; prop-2-enenitrile; styrene
SYSTEMATIC NAME: ethenylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyloxirane; oxirane; prop-2-enenitrile
MOLECULAR FORMULA: C22H35NO5
MOLECULAR WEIGHT: 393.517
SMILES: CCC(CO)(CO)CO.CC1CO1.C=CC#N.C=CC1=CC=CC=C1.C1CO1
Structure:
CAS RN: 103470-94-6
CAS Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-5-isobenzofurancarboxylic acid; ethane-1,2-diol; hexanedioic acid; terephthalic acid
OPENEYE Name: adipic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxoisobenzofuran-5-carboxylic acid; ethylene glycol; isophthalic acid; terephthalic acid
IUPAC Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-2-benzofuran-5-carboxylic acid; ethane-1,2-diol; hexanedioic acid; terephthalic acid
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; hexanedioic acid; terephthalic acid
MOLECULAR FORMULA: C38H44O21
MOLECULAR WEIGHT: 836.74336
SMILES: CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O.C(CO)O
Structure:
CAS RN: 103286-63-1
CAS Name: 3-(5-tert-butyl-6-chloro-3-pyridazinyl)-4-hydroxy-1-methyl-2-imidazolidinone
OPENEYE Name: 3-(5-tert-butyl-6-chloro-pyridazin-3-yl)-4-hydroxy-1-methyl-imidazolidin-2-one
IUPAC Name: 3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one
SYSTEMATIC NAME: 3-(5-tert-butyl-6-chloranyl-pyridazin-3-yl)-1-methyl-4-oxidanyl-imidazolidin-2-one
MOLECULAR FORMULA: C12H17ClN4O2
MOLECULAR WEIGHT: 284.74198
SMILES: CC(C)(C)C1=CC(=NN=C1Cl)N2C(CN(C2=O)C)O
Structure:
CAS RN: 103146-34-5
CAS Name: 3,5-dichloro-N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)benzamide
OPENEYE Name: 3,5-dichloro-N-(3,3-dibromo-1,1-dimethyl-2-oxo-propyl)benzamide
IUPAC Name: 3,5-dichloro-N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)benzamide
SYSTEMATIC NAME: N-[4,4-bis(bromanyl)-2-methyl-3-oxidanylidene-butan-2-yl]-3,5-bis(chloranyl)benzamide
MOLECULAR FORMULA: C12H11Br2Cl2NO2
MOLECULAR WEIGHT: 431.93524
SMILES: CC(C)(C(=O)C(Br)Br)NC(=O)C1=CC(=CC(=C1)Cl)Cl
Structure:
CAS RN: 103124-72-7
CAS Name: 8-bromo-2,3,4-trichlorodibenzofuran
OPENEYE Name: 8-bromo-2,3,4-trichloro-dibenzofuran
IUPAC Name: 8-bromo-2,3,4-trichlorodibenzofuran
SYSTEMATIC NAME: 8-bromanyl-2,3,4-tris(chloranyl)dibenzofuran
MOLECULAR FORMULA: C12H4BrCl3O
MOLECULAR WEIGHT: 350.42256
SMILES: C1=CC2=C(C=C1Br)C3=CC(=C(C(=C3O2)Cl)Cl)Cl
Structure:
CAS RN: 103124-60-3
CAS Name: 2-[[2-chloro-4-[3-chloro-4-[2-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[[2-chloro-4-[3-chloro-4-[2-(2-ethoxy-1-ethoxycarbonyl-2-oxo-ethylidene)hydrazino]phenyl]phenyl]hydrazono]propanedioate
IUPAC Name: diethyl 2-[[2-chloro-4-[3-chloro-4-[2-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanedioate
SYSTEMATIC NAME: diethyl 2-[[2-chloranyl-4-[3-chloranyl-4-[2-[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]propanedioate
MOLECULAR FORMULA: C26H28Cl2N4O8
MOLECULAR WEIGHT: 595.42852
SMILES: CCOC(=O)C(=NNC1=C(C=C(C=C1)C2=CC(=C(C=C2)NN=C(C(=O)OCC)C(=O)OCC)Cl)Cl)C(=O)OCC
Structure:
CAS RN: 103053-21-0
CAS Name: 5-carbamoyl-1-(3-chlorophenyl)-4-pyrazolecarboxylic acid methyl ester
OPENEYE Name: methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate
IUPAC Name: methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate
SYSTEMATIC NAME: methyl 5-aminocarbonyl-1-(3-chlorophenyl)pyrazole-4-carboxylate
MOLECULAR FORMULA: C12H10ClN3O3
MOLECULAR WEIGHT: 279.6791
SMILES: COC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Cl)C(=O)N
Structure:
CAS RN: 103051-65-6
CAS Name: 1,3-diisocyanato-2-methylbenzene; ethane-1,2-diamine; 2-methyloxirane
OPENEYE Name: 1,3-diisocyanato-2-methyl-benzene; ethane-1,2-diamine; 2-methyloxirane
IUPAC Name: 1,3-diisocyanato-2-methylbenzene; ethane-1,2-diamine; 2-methyloxirane
SYSTEMATIC NAME: 1,3-diisocyanato-2-methyl-benzene; ethane-1,2-diamine; 2-methyloxirane
MOLECULAR FORMULA: C14H20N4O3
MOLECULAR WEIGHT: 292.3336
SMILES: CC1CO1.CC1=C(C=CC=C1N=C=O)N=C=O.C(CN)N
Structure:
CAS RN: 103051-63-4
CAS Name: hexane-1,6-diamine; hexanedioic acid; 4-[2-(4-hydroxycyclohexyl)propan-2-yl]-1-cyclohexanol; propane-1,1-diol
OPENEYE Name: adipic acid; hexane-1,6-diamine; 4-[1-(4-hydroxycyclohexyl)-1-methyl-ethyl]cyclohexanol; propane-1,1-diol
IUPAC Name: hexane-1,6-diamine; hexanedioic acid; 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol; propane-1,1-diol
SYSTEMATIC NAME: hexane-1,6-diamine; hexanedioic acid; 4-[2-(4-oxidanylcyclohexyl)propan-2-yl]cyclohexan-1-ol; propane-1,1-diol
MOLECULAR FORMULA: C30H62N2O8
MOLECULAR WEIGHT: 578.82188
SMILES: CCC(O)O.CC(C)(C1CCC(CC1)O)C2CCC(CC2)O.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 103004-27-9
CAS Name: benzene-1,3-dicarboxylic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; isobenzofuran-1,3-dione; 2-propenoic acid; 2-propenoic acid butyl ester; 2-propenoic acid 2-hydroxyethyl ester; styrene
OPENEYE Name: acrylic acid; adipic acid; butyl prop-2-enoate; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; 2-hydroxyethyl prop-2-enoate; isobenzofuran-1,3-dione; isophthalic acid; styrene
IUPAC Name: benzene-1,3-dicarboxylic acid; 2-benzofuran-1,3-dione; butyl prop-2-enoate; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 2-hydroxyethyl prop-2-enoate; prop-2-enoic acid; styrene
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; 2-benzofuran-1,3-dione; butyl prop-2-enoate; ethenylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 2-hydroxyethyl prop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C57H80O23
MOLECULAR WEIGHT: 1133.2313
SMILES: CCCCOC(=O)C=C.CCC(CO)(CO)CO.C=CC1=CC=CC=C1.C=CC(=O)O.C=CC(=O)OCCO.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 102996-26-9
CAS Name: 5-chloro-1-(2,4,6-trichlorophenyl)-4-pyrazolecarbonitrile
OPENEYE Name: 5-chloro-1-(2,4,6-trichlorophenyl)pyrazole-4-carbonitrile
IUPAC Name: 5-chloro-1-(2,4,6-trichlorophenyl)pyrazole-4-carbonitrile
SYSTEMATIC NAME: 5-chloranyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazole-4-carbonitrile
MOLECULAR FORMULA: C10H3Cl4N3
MOLECULAR WEIGHT: 306.96292
SMILES: C1=C(C=C(C(=C1Cl)N2C(=C(C=N2)C#N)Cl)Cl)Cl
Structure:
CAS RN: 102995-99-3
CAS Name: 4-chloro-2-[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]benzoic acid propan-2-yl ester
OPENEYE Name: isopropyl 4-chloro-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
IUPAC Name: propan-2-yl 4-chloro-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
SYSTEMATIC NAME: propan-2-yl 4-chloranyl-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
MOLECULAR FORMULA: C16H18ClN5O6S
MOLECULAR WEIGHT: 443.86202
SMILES: CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)Cl)C(=O)OC(C)C
Structure:
CAS RN: 102988-42-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H10BrClN4OS
MOLECULAR WEIGHT: 409.6881
SMILES: CC1=NN=C2N1C3=C(C=C(S3)Br)C(NC2=O)C4=CC=CC=C4Cl
Structure:
CAS RN: 102923-77-3
CAS Name: 2-azepanone; 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
OPENEYE Name: azepan-2-one; 3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoic acid; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
IUPAC Name: azepan-2-one; 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
SYSTEMATIC NAME: azepan-2-one; 2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoic acid; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
MOLECULAR FORMULA: C23H39N3O7
MOLECULAR WEIGHT: 469.57166
SMILES: CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.CC(CO)(CO)C(=O)O.C1CCC(=O)NCC1
Structure:
CAS RN: 103051-67-8
CAS Name: 2-azepanone; 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
OPENEYE Name: azepan-2-one; 3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoic acid; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
IUPAC Name: azepan-2-one; 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
SYSTEMATIC NAME: azepan-2-one; 2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoic acid; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
MOLECULAR FORMULA: C23H39N3O7
MOLECULAR WEIGHT: 469.57166
SMILES: CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.CC(CO)(CO)C(=O)O.C1CCC(=O)NCC1
Structure:
CAS RN: 102916-95-0
CAS Name: (2R,4S)-6-fluoro-2-methylspiro[3,4-dihydro-2H-1-benzopyran-4,5'-imidazolidine]-2',4'-dione
OPENEYE Name: (2R,4S)-6-fluoro-2-methyl-spiro[chromane-4,5'-imidazolidine]-2',4'-dione
IUPAC Name: (2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SYSTEMATIC NAME: (2R,4S)-6-fluoranyl-2-methyl-spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
MOLECULAR FORMULA: C12H11FN2O3
MOLECULAR WEIGHT: 250.225743
SMILES: C[C@@H]1C[C@]2(C3=C(O1)C=CC(=C3)F)C(=O)NC(=O)N2
Structure:
CAS RN: 102853-43-0
CAS Name: 3-(2-aminoethyl)-1H-indole-5,6-diol; 2-amino-3-methyl-4H-imidazol-5-one; sulfuric acid
OPENEYE Name: 3-(2-aminoethyl)-1H-indole-5,6-diol; 2-amino-3-methyl-4H-imidazol-5-one; sulfuric acid
IUPAC Name: 3-(2-aminoethyl)-1H-indole-5,6-diol; 2-amino-3-methyl-4H-imidazol-5-one; sulfuric acid
SYSTEMATIC NAME: 3-(2-azanylethyl)-1H-indole-5,6-diol; 2-azanyl-3-methyl-4H-imidazol-5-one; sulfuric acid
MOLECULAR FORMULA: C14H21N5O7S
MOLECULAR WEIGHT: 403.41084
SMILES: CN1CC(=O)N=C1N.C1=C2C(=CC(=C1O)O)NC=C2CCN.OS(=O)(=O)O
Structure:
CAS RN: 102852-74-4
CAS Name: 2,5-dimethylindolo[2,1-a][2,7]naphthyridin-2-ium iodide
OPENEYE Name: 2,5-dimethylindolo[2,1-a][2,7]naphthyridin-2-ium iodide
IUPAC Name: 2,5-dimethylindolo[2,1-a][2,7]naphthyridin-2-ium iodide
SYSTEMATIC NAME: 2,5-dimethylindolo[2,1-a][2,7]naphthyridin-2-ium iodide
MOLECULAR FORMULA: C17H15IN2
MOLECULAR WEIGHT: 374.21887
SMILES: CC1=CN2C3=CC=CC=C3C=C2C4=C1C=C[N+](=C4)C.[I-]
Structure:
CAS RN: 102763-23-5
CAS Name: 1,6-diisocyanatohexane; 2-ethylhexane-1,3-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; 3-oxobutanoic acid ethyl ester; propanedioic acid diethyl ester
OPENEYE Name: diethyl propanedioate; 1,6-diisocyanatohexane; 2-ethylhexane-1,3-diol; ethyl 3-oxobutanoate; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
IUPAC Name: diethyl propanedioate; 1,6-diisocyanatohexane; 2-ethylhexane-1,3-diol; ethyl 3-oxobutanoate; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
SYSTEMATIC NAME: diethyl propanedioate; 1,6-diisocyanatohexane; 2-ethylhexane-1,3-diol; ethyl 3-oxidanylidenebutanoate; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
MOLECULAR FORMULA: C41H70N4O13
MOLECULAR WEIGHT: 827.0135
SMILES: CCCC(C(CC)CO)O.CCOC(=O)CC(=O)C.CCOC(=O)CC(=O)OCC.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C(CCCN=C=O)CCN=C=O
Structure:
CAS RN: 102636-38-4
CAS Name: 2-(3,4-dichlorophenyl)-N-methyl-N-[(2R)-2-(1-pyrrolidinyl)cyclohexyl]acetamide; methanesulfonic acid
OPENEYE Name: 2-(3,4-dichlorophenyl)-N-methyl-N-[(2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide; methanesulfonic acid
IUPAC Name: 2-(3,4-dichlorophenyl)-N-methyl-N-[(2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide; methanesulfonic acid
SYSTEMATIC NAME: 2-(3,4-dichlorophenyl)-N-methyl-N-[(2R)-2-pyrrolidin-1-ylcyclohexyl]ethanamide; methanesulfonic acid
MOLECULAR FORMULA: C20H30Cl2N2O4S
MOLECULAR WEIGHT: 465.4342
SMILES: CN(C1CCCC[C@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.CS(=O)(=O)O
Structure:
CAS RN: 102585-03-5
CAS Name: 9-hydroxy-9-xanthenecarboxylic acid (1-methyl-4-piperidinyl) ester
OPENEYE Name: (1-methyl-4-piperidyl) 9-hydroxyxanthene-9-carboxylate
IUPAC Name: (1-methylpiperidin-4-yl) 9-hydroxyxanthene-9-carboxylate
SYSTEMATIC NAME: (1-methylpiperidin-4-yl) 9-oxidanylxanthene-9-carboxylate
MOLECULAR FORMULA: C20H21NO4
MOLECULAR WEIGHT: 339.38504
SMILES: CN1CCC(CC1)OC(=O)C2(C3=CC=CC=C3OC4=CC=CC=C42)O
Structure:
CAS RN: 102567-32-8
CAS Name: 2-aminoacetic acid 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1-pyridazinyl]ethyl ester
OPENEYE Name: 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-pyridazin-1-yl]ethyl 2-aminoacetate
IUPAC Name: 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1-yl]ethyl 2-aminoacetate
SYSTEMATIC NAME: 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxidanylidene-pyridazin-1-yl]ethyl 2-azanylethanoate
MOLECULAR FORMULA: C21H16Cl2N4O3
MOLECULAR WEIGHT: 443.28274
SMILES: C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)Cl)CCOC(=O)CN)C#N)Cl
Structure:
CAS RN: 102564-10-3
CAS Name: 5-cyclohexyl-5-phenylimidazolidine-2,4-dione
OPENEYE Name: 5-cyclohexyl-5-phenyl-imidazolidine-2,4-dione
IUPAC Name: 5-cyclohexyl-5-phenylimidazolidine-2,4-dione
SYSTEMATIC NAME: 5-cyclohexyl-5-phenyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C15H18N2O2
MOLECULAR WEIGHT: 258.31562
SMILES: C1CCC(CC1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3
Structure:
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