CAS RN: 29311-68-0
CAS Name: 3-(carbamoylamino)propyl-trimethylammonium; methyl sulfate
OPENEYE Name: methyl sulfate; trimethyl(3-ureidopropyl)ammonium
IUPAC Name: 3-(carbamoylamino)propyl-trimethylazanium; methyl sulfate
SYSTEMATIC NAME: 3-(aminocarbonylamino)propyl-trimethyl-azanium; methyl sulfate
MOLECULAR FORMULA: C8H21N3O5S
MOLECULAR WEIGHT: 271.33444
SMILES: C[N+](C)(C)CCCNC(=O)N.COS(=O)(=O)[O-]
Structure:
CAS RN: 94247-74-2
CAS Name: 2,3-bis(2-methylpropyl)-1-naphthalenesulfonic acid
OPENEYE Name: 2,3-diisobutylnaphthalene-1-sulfonic acid
IUPAC Name: 2,3-bis(2-methylpropyl)naphthalene-1-sulfonic acid
SYSTEMATIC NAME: 2,3-bis(2-methylpropyl)naphthalene-1-sulfonic acid
MOLECULAR FORMULA: C18H24O3S
MOLECULAR WEIGHT: 320.44636
SMILES: CC(C)CC1=CC2=CC=CC=C2C(=C1CC(C)C)S(=O)(=O)O
Structure:
CAS RN: 29148-02-5
CAS Name: 4-butoxybenzenecarboximidamide hydrochloride
OPENEYE Name: 4-butoxybenzamidine hydrochloride
IUPAC Name: 4-butoxybenzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 4-butoxybenzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C11H17ClN2O
MOLECULAR WEIGHT: 228.71848
SMILES: CCCCOC1=CC=C(C=C1)C(=N)N.Cl
Structure:
CAS RN: 29062-95-1
CAS Name: 1,2-dimethyldibenzofuran
OPENEYE Name: 1,2-dimethyldibenzofuran
IUPAC Name: 1,2-dimethyldibenzofuran
SYSTEMATIC NAME: 1,2-dimethyldibenzofuran
MOLECULAR FORMULA: C14H12O
MOLECULAR WEIGHT: 196.24448
SMILES: CC1=C(C2=C(C=C1)OC3=CC=CC=C32)C
Structure:
CAS RN: 29030-80-6
CAS Name: pentacosanoic acid ethyl ester
OPENEYE Name: ethyl pentacosanoate
IUPAC Name: ethyl pentacosanoate
SYSTEMATIC NAME: ethyl pentacosanoate
MOLECULAR FORMULA: C27H54O2
MOLECULAR WEIGHT: 410.71646
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC
Structure:
CAS RN: 29011-65-2
CAS Name: 3,3,4-trimethyloxepane-2,7-dione
OPENEYE Name: 3,3,4-trimethyloxepane-2,7-dione
IUPAC Name: 3,3,4-trimethyloxepane-2,7-dione
SYSTEMATIC NAME: 3,3,4-trimethyloxepane-2,7-dione
MOLECULAR FORMULA: C9H14O3
MOLECULAR WEIGHT: 170.20566
SMILES: CC1CCC(=O)OC(=O)C1(C)C
Structure:
CAS RN: 28997-77-5
CAS Name: methyl(dioctadecyl)sulfonium; methyl sulfate
OPENEYE Name: methyl(dioctadecyl)sulfonium; methyl sulfate
IUPAC Name: methyl(dioctadecyl)sulfanium; methyl sulfate
SYSTEMATIC NAME: methyl(dioctadecyl)sulfanium; methyl sulfate
MOLECULAR FORMULA: C38H80O4S2
MOLECULAR WEIGHT: 665.1694
SMILES: CCCCCCCCCCCCCCCCCC[S+](C)CCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]
Structure:
CAS RN: 28855-17-6
CAS Name: 2-octadecylbenzenesulfonic acid
OPENEYE Name: 2-octadecylbenzenesulfonic acid
IUPAC Name: 2-octadecylbenzenesulfonic acid
SYSTEMATIC NAME: 2-octadecylbenzenesulfonic acid
MOLECULAR FORMULA: C24H42O3S
MOLECULAR WEIGHT: 410.65348
SMILES: CCCCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O
Structure:
CAS RN: 93820-24-7
CAS Name: 2-octadecylbenzenesulfonic acid
OPENEYE Name: 2-octadecylbenzenesulfonic acid
IUPAC Name: 2-octadecylbenzenesulfonic acid
SYSTEMATIC NAME: 2-octadecylbenzenesulfonic acid
MOLECULAR FORMULA: C24H42O3S
MOLECULAR WEIGHT: 410.65348
SMILES: CCCCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O
Structure:
CAS RN: 28804-58-2
CAS Name: 1,2,3-tricyclohexylbenzene
OPENEYE Name: 1,2,3-tricyclohexylbenzene
IUPAC Name: 1,2,3-tricyclohexylbenzene
SYSTEMATIC NAME: 1,2,3-tricyclohexylbenzene
MOLECULAR FORMULA: C24H36
MOLECULAR WEIGHT: 324.54264
SMILES: C1CCC(CC1)C2=C(C(=CC=C2)C3CCCCC3)C4CCCCC4
Structure:
CAS RN: 28787-22-6
CAS Name: 1-amino-3-(diaminomethylidene)urea dihydrochloride
OPENEYE Name: 1-amino-3-(diaminomethylene)urea dihydrochloride
IUPAC Name: 1-amino-3-(diaminomethylidene)urea dihydrochloride
SYSTEMATIC NAME: 1-azanyl-3-[bis(azanyl)methylidene]urea dihydrochloride
MOLECULAR FORMULA: C2H9Cl2N5O
MOLECULAR WEIGHT: 190.03176
SMILES: C(=NC(=O)NN)(N)N.Cl.Cl
Structure:
CAS RN: 28712-30-3
CAS Name: 2,7-bis[2-(dimethylamino)ethoxy]-9-fluorenone dihydrochloride
OPENEYE Name: 2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one dihydrochloride
IUPAC Name: 2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one dihydrochloride
SYSTEMATIC NAME: 2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one dihydrochloride
MOLECULAR FORMULA: C21H28Cl2N2O3
MOLECULAR WEIGHT: 427.36462
SMILES: CN(C)CCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)OCCN(C)C.Cl.Cl
Structure:
CAS RN: 28652-08-6
CAS Name: 2,3,4-tri(nonyl)phenol
OPENEYE Name: 2,3,4-tri(nonyl)phenol
IUPAC Name: 2,3,4-tri(nonyl)phenol
SYSTEMATIC NAME: 2,3,4-tri(nonyl)phenol
MOLECULAR FORMULA: C33H60O
MOLECULAR WEIGHT: 472.8289
SMILES: CCCCCCCCCC1=C(C(=C(C=C1)O)CCCCCCCCC)CCCCCCCCC
Structure:
CAS RN: 17264-82-3
CAS Name: sodium 2-nitrobenzoate
OPENEYE Name: sodium 2-nitrobenzoate
IUPAC Name: sodium 2-nitrobenzoate
SYSTEMATIC NAME: sodium 2-nitrobenzoate
MOLECULAR FORMULA: C7H4NNaO4
MOLECULAR WEIGHT: 189.10073
SMILES: C1=CC=C(C(=C1)C(=O)[O-])[N+](=O)[O-].[Na+]
Structure:
CAS RN: 28527-04-0
CAS Name: N-methylcarbamic acid [3-(hydroxymethyl)-2,5-dimethylphenyl] ester
OPENEYE Name: [3-(hydroxymethyl)-2,5-dimethyl-phenyl] N-methylcarbamate
IUPAC Name: [3-(hydroxymethyl)-2,5-dimethylphenyl] N-methylcarbamate
SYSTEMATIC NAME: [3-(hydroxymethyl)-2,5-dimethyl-phenyl] N-methylcarbamate
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: CC1=CC(=C(C(=C1)OC(=O)NC)C)CO
Structure:
CAS RN: 28478-48-0
CAS Name: 5-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-hydroxy-2-methoxybenzamide hydrochloride
OPENEYE Name: 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-methoxy-benzamide hydrochloride
IUPAC Name: 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-methoxybenzamide hydrochloride
SYSTEMATIC NAME: 5-chloranyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-4-oxidanyl-benzamide hydrochloride
MOLECULAR FORMULA: C15H22Cl2N2O3
MOLECULAR WEIGHT: 349.25278
SMILES: CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)O)Cl.Cl
Structure:
CAS RN: 28443-57-4
CAS Name: 2-amino-4,5-dichlorophenol
OPENEYE Name: 2-amino-4,5-dichloro-phenol
IUPAC Name: 2-amino-4,5-dichlorophenol
SYSTEMATIC NAME: 2-azanyl-4,5-bis(chloranyl)phenol
MOLECULAR FORMULA: C6H5Cl2NO
MOLECULAR WEIGHT: 178.016
SMILES: C1=C(C(=CC(=C1Cl)Cl)O)N
Structure:
CAS RN: 28351-14-6
CAS Name: 1-(2-mercaptoethyl)-1-cyclohexanethiol
OPENEYE Name: 1-(2-sulfanylethyl)cyclohexanethiol
IUPAC Name: 1-(2-sulfanylethyl)cyclohexane-1-thiol
SYSTEMATIC NAME: 1-(2-sulfanylethyl)cyclohexane-1-thiol
MOLECULAR FORMULA: C8H16S2
MOLECULAR WEIGHT: 176.34264
SMILES: C1CCC(CC1)(CCS)S
Structure:
CAS RN: 28294-47-5
CAS Name: acetic acid (4-acetyl-2,6-dimethoxyphenyl) ester
OPENEYE Name: (4-acetyl-2,6-dimethoxy-phenyl) acetate
IUPAC Name: (4-acetyl-2,6-dimethoxyphenyl) acetate
SYSTEMATIC NAME: (4-ethanoyl-2,6-dimethoxy-phenyl) ethanoate
MOLECULAR FORMULA: C12H14O5
MOLECULAR WEIGHT: 238.23656
SMILES: CC(=O)C1=CC(=C(C(=C1)OC)OC(=O)C)OC
Structure:
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