CAS RN: 65781-38-6
CAS Name: 3-methylundecanoic acid
OPENEYE Name: 3-methylundecanoic acid
IUPAC Name: 3-methylundecanoic acid
SYSTEMATIC NAME: 3-methylundecanoic acid
MOLECULAR FORMULA: C12H24O2
MOLECULAR WEIGHT: 200.31776
SMILES: CCCCCCCCC(C)CC(=O)O
Structure:
CAS RN: 65767-36-4
CAS Name: 4,5-dihydrothiazol-2-amine; sulfuric acid
OPENEYE Name: 4,5-dihydrothiazol-2-amine; sulfuric acid
IUPAC Name: 4,5-dihydro-1,3-thiazol-2-amine; sulfuric acid
SYSTEMATIC NAME: 4,5-dihydro-1,3-thiazol-2-amine; sulfuric acid
MOLECULAR FORMULA: C3H8N2O4S2
MOLECULAR WEIGHT: 200.23662
SMILES: C1CSC(=N1)N.OS(=O)(=O)O
Structure:
CAS RN: 85959-63-3
CAS Name: 4,5-dihydrothiazol-2-amine; sulfuric acid
OPENEYE Name: 4,5-dihydrothiazol-2-amine; sulfuric acid
IUPAC Name: 4,5-dihydro-1,3-thiazol-2-amine; sulfuric acid
SYSTEMATIC NAME: 4,5-dihydro-1,3-thiazol-2-amine; sulfuric acid
MOLECULAR FORMULA: C3H8N2O4S2
MOLECULAR WEIGHT: 200.23662
SMILES: C1CSC(=N1)N.OS(=O)(=O)O
Structure:
CAS RN: 65750-59-6
CAS Name: N-(2-mercaptoethyl)carbamic acid (4-nitrophenyl)methyl ester
OPENEYE Name: (4-nitrophenyl)methyl N-(2-sulfanylethyl)carbamate
IUPAC Name: (4-nitrophenyl)methyl N-(2-sulfanylethyl)carbamate
SYSTEMATIC NAME: (4-nitrophenyl)methyl N-(2-sulfanylethyl)carbamate
MOLECULAR FORMULA: C10H12N2O4S
MOLECULAR WEIGHT: 256.27828
SMILES: C1=CC(=CC=C1COC(=O)NCCS)[N+](=O)[O-]
Structure:
CAS RN: 65738-46-7
CAS Name: 1-methoxypropan-2-ylbenzene
OPENEYE Name: (2-methoxy-1-methyl-ethyl)benzene
IUPAC Name: 1-methoxypropan-2-ylbenzene
SYSTEMATIC NAME: 1-methoxypropan-2-ylbenzene
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CC(COC)C1=CC=CC=C1
Structure:
CAS RN: 65706-29-8
CAS Name: 2-[(3-cyclohexyl-3-hydroxypropyl)amino]nonanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[(3-cyclohexyl-3-hydroxy-propyl)amino]nonanedioate
IUPAC Name: diethyl 2-[(3-cyclohexyl-3-hydroxypropyl)amino]nonanedioate
SYSTEMATIC NAME: diethyl 2-[(3-cyclohexyl-3-oxidanyl-propyl)amino]nonanedioate
MOLECULAR FORMULA: C22H41NO5
MOLECULAR WEIGHT: 399.56464
SMILES: CCOC(=O)CCCCCCC(C(=O)OCC)NCCC(C1CCCCC1)O
Structure:
CAS RN: 65706-08-3
CAS Name: 2-[(3-cyclohexyl-3-oxopropyl)amino]nonanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[(3-cyclohexyl-3-oxo-propyl)amino]nonanedioate
IUPAC Name: diethyl 2-[(3-cyclohexyl-3-oxopropyl)amino]nonanedioate
SYSTEMATIC NAME: diethyl 2-[(3-cyclohexyl-3-oxidanylidene-propyl)amino]nonanedioate
MOLECULAR FORMULA: C22H39NO5
MOLECULAR WEIGHT: 397.54876
SMILES: CCOC(=O)CCCCCCC(C(=O)OCC)NCCC(=O)C1CCCCC1
Structure:
CAS RN: 65694-09-9
CAS Name: dimethyl-[3-(1-oxohexadecylamino)propyl]-(phenylmethyl)ammonium chloride
OPENEYE Name: benzyl-[3-(hexadecanoylamino)propyl]-dimethyl-ammonium chloride
IUPAC Name: benzyl-[3-(hexadecanoylamino)propyl]-dimethylazanium chloride
SYSTEMATIC NAME: 3-(hexadecanoylamino)propyl-dimethyl-(phenylmethyl)azanium chloride
MOLECULAR FORMULA: C28H51ClN2O
MOLECULAR WEIGHT: 467.17034
SMILES: CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
Structure:
CAS RN: 65678-12-8
CAS Name: 3-tert-butyl-5-chloro-4-hydroxybenzaldehyde
OPENEYE Name: 3-tert-butyl-5-chloro-4-hydroxy-benzaldehyde
IUPAC Name: 3-tert-butyl-5-chloro-4-hydroxybenzaldehyde
SYSTEMATIC NAME: 3-tert-butyl-5-chloranyl-4-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C11H13ClO2
MOLECULAR WEIGHT: 212.67272
SMILES: CC(C)(C)C1=C(C(=CC(=C1)C=O)Cl)O
Structure:
CAS RN: 65678-11-7
CAS Name: 3-tert-butyl-4-hydroxybenzaldehyde
OPENEYE Name: 3-tert-butyl-4-hydroxy-benzaldehyde
IUPAC Name: 3-tert-butyl-4-hydroxybenzaldehyde
SYSTEMATIC NAME: 3-tert-butyl-4-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC(C)(C)C1=C(C=CC(=C1)C=O)O
Structure:
CAS RN: 65676-18-8
CAS Name: carbonochloridic acid cyclododecyl ester
OPENEYE Name: cyclododecyl carbonochloridate
IUPAC Name: cyclododecyl carbonochloridate
SYSTEMATIC NAME: cyclododecyl carbonochloridate
MOLECULAR FORMULA: C13H23ClO2
MOLECULAR WEIGHT: 246.77352
SMILES: C1CCCCCC(CCCCC1)OC(=O)Cl
Structure:
CAS RN: 65652-26-8
CAS Name: 2-chloro-1-methoxyethanol
OPENEYE Name: 2-chloro-1-methoxy-ethanol
IUPAC Name: 2-chloro-1-methoxyethanol
SYSTEMATIC NAME: 2-chloranyl-1-methoxy-ethanol
MOLECULAR FORMULA: C3H7ClO2
MOLECULAR WEIGHT: 110.53948
SMILES: COC(CCl)O
Structure:
CAS RN: 65593-73-9
CAS Name: 2-cyclohexyloxyacetic acid methyl ester
OPENEYE Name: methyl 2-(cyclohexoxy)acetate
IUPAC Name: methyl 2-cyclohexyloxyacetate
SYSTEMATIC NAME: methyl 2-cyclohexyloxyethanoate
MOLECULAR FORMULA: C9H16O3
MOLECULAR WEIGHT: 172.22154
SMILES: COC(=O)COC1CCCCC1
Structure:
CAS RN: 65588-70-7
CAS Name: N-(2-aminoethyl)-N-(2-hydroxyethyl)tetradecanamide
OPENEYE Name: N-(2-aminoethyl)-N-(2-hydroxyethyl)tetradecanamide
IUPAC Name: N-(2-aminoethyl)-N-(2-hydroxyethyl)tetradecanamide
SYSTEMATIC NAME: N-(2-azanylethyl)-N-(2-hydroxyethyl)tetradecanamide
MOLECULAR FORMULA: C18H38N2O2
MOLECULAR WEIGHT: 314.50652
SMILES: CCCCCCCCCCCCCC(=O)N(CCN)CCO
Structure:
CAS RN: 65578-65-6
CAS Name: 2-cyclopentylbenzene-1,4-diol
OPENEYE Name: 2-cyclopentylbenzene-1,4-diol
IUPAC Name: 2-cyclopentylbenzene-1,4-diol
SYSTEMATIC NAME: 2-cyclopentylbenzene-1,4-diol
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: C1CCC(C1)C2=C(C=CC(=C2)O)O
Structure:
CAS RN: 65540-77-4
CAS Name: hexanedioic acid didocosyl ester
OPENEYE Name: didocosyl hexanedioate
IUPAC Name: didocosyl hexanedioate
SYSTEMATIC NAME: didocosyl hexanedioate
MOLECULAR FORMULA: C50H98O4
MOLECULAR WEIGHT: 763.31072
SMILES: CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC
Structure:
CAS RN: 65513-61-3
CAS Name: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
OPENEYE Name: 2-chloro-N-(2-ethyl-6-methyl-phenyl)-N-(2-hydroxy-1-methyl-ethyl)acetamide
IUPAC Name: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(2-ethyl-6-methyl-phenyl)-N-(1-oxidanylpropan-2-yl)ethanamide
MOLECULAR FORMULA: C14H20ClNO2
MOLECULAR WEIGHT: 269.7671
SMILES: CCC1=CC=CC(=C1N(C(C)CO)C(=O)CCl)C
Structure:
CAS RN: 65502-61-6
CAS Name: 4,4,5-trimethyl-1-hexanol
OPENEYE Name: 4,4,5-trimethylhexan-1-ol
IUPAC Name: 4,4,5-trimethylhexan-1-ol
SYSTEMATIC NAME: 4,4,5-trimethylhexan-1-ol
MOLECULAR FORMULA: C9H20O
MOLECULAR WEIGHT: 144.2545
SMILES: CC(C)C(C)(C)CCCO
Structure:
CAS RN: 65433-96-7
CAS Name: 7-quinolinesulfonic acid
OPENEYE Name: quinoline-7-sulfonic acid
IUPAC Name: quinoline-7-sulfonic acid
SYSTEMATIC NAME: quinoline-7-sulfonic acid
MOLECULAR FORMULA: C9H7NO3S
MOLECULAR WEIGHT: 209.22178
SMILES: C1=CC2=C(C=C(C=C2)S(=O)(=O)O)N=C1
Structure:
CAS RN: 65411-49-6
CAS Name: methanesulfonate; tetrabutylammonium
OPENEYE Name: methanesulfonate; tetrabutylammonium
IUPAC Name: methanesulfonate; tetrabutylazanium
SYSTEMATIC NAME: methanesulfonate; tetrabutylazanium
MOLECULAR FORMULA: C17H39NO3S
MOLECULAR WEIGHT: 337.56146
SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CS(=O)(=O)[O-]
Structure:
CAS RN: 65407-49-0
CAS Name: 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate
IUPAC Name: ethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 2-methoxy-6-oxidanylidene-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C8H10N2O4
MOLECULAR WEIGHT: 198.176
SMILES: CCOC(=O)C1=CN=C(NC1=O)OC
Structure:
CAS RN: 65400-98-8
CAS Name: N-(3,4-dichlorophenyl)-4-hydroxy-1,3-dimethyl-2,6-dioxo-5-pyrimidinecarboxamide
OPENEYE Name: N-(3,4-dichlorophenyl)-4-hydroxy-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carboxamide
IUPAC Name: N-(3,4-dichlorophenyl)-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-1,3-dimethyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidine-5-carboxamide
MOLECULAR FORMULA: C13H11Cl2N3O4
MOLECULAR WEIGHT: 344.15014
SMILES: CN1C(=C(C(=O)N(C1=O)C)C(=O)NC2=CC(=C(C=C2)Cl)Cl)O
Structure:
CAS RN: 65379-34-2
CAS Name: N-eicosyl-2-propenamide
OPENEYE Name: N-icosylprop-2-enamide
IUPAC Name: N-icosylprop-2-enamide
SYSTEMATIC NAME: N-icosylprop-2-enamide
MOLECULAR FORMULA: C23H45NO
MOLECULAR WEIGHT: 351.6095
SMILES: CCCCCCCCCCCCCCCCCCCCNC(=O)C=C
Structure:
CAS RN: 65343-67-1
CAS Name: 2-(4-hydroxyphenoxy)propanoic acid ethyl ester
OPENEYE Name: ethyl 2-(4-hydroxyphenoxy)propanoate
IUPAC Name: ethyl 2-(4-hydroxyphenoxy)propanoate
SYSTEMATIC NAME: ethyl 2-(4-oxidanylphenoxy)propanoate
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: CCOC(=O)C(C)OC1=CC=C(C=C1)O
Structure:
CAS RN: 65330-49-6
CAS Name: 4-ethoxy-2,5-dimethyl-3-furanone
OPENEYE Name: 4-ethoxy-2,5-dimethyl-furan-3-one
IUPAC Name: 4-ethoxy-2,5-dimethylfuran-3-one
SYSTEMATIC NAME: 4-ethoxy-2,5-dimethyl-furan-3-one
MOLECULAR FORMULA: C8H12O3
MOLECULAR WEIGHT: 156.17908
SMILES: CCOC1=C(OC(C1=O)C)C
Structure:
CAS RN: 65330-28-1
CAS Name: N-(9-hydroxy-9H-fluoren-3-yl)acetamide
OPENEYE Name: N-(9-hydroxy-9H-fluoren-3-yl)acetamide
IUPAC Name: N-(9-hydroxy-9H-fluoren-3-yl)acetamide
SYSTEMATIC NAME: N-(9-oxidanyl-9H-fluoren-3-yl)ethanamide
MOLECULAR FORMULA: C15H13NO2
MOLECULAR WEIGHT: 239.26922
SMILES: CC(=O)NC1=CC2=C(C=C1)C(C3=CC=CC=C32)O
Structure:
CAS RN: 65321-43-9
CAS Name: 3,5-dimethoxy-4-(2-methoxyethoxy)benzaldehyde
OPENEYE Name: 3,5-dimethoxy-4-(2-methoxyethoxy)benzaldehyde
IUPAC Name: 3,5-dimethoxy-4-(2-methoxyethoxy)benzaldehyde
SYSTEMATIC NAME: 3,5-dimethoxy-4-(2-methoxyethoxy)benzaldehyde
MOLECULAR FORMULA: C12H16O5
MOLECULAR WEIGHT: 240.25244
SMILES: COCCOC1=C(C=C(C=C1OC)C=O)OC
Structure:
CAS RN: 65316-36-1
CAS Name: N-(7H-purin-6-yl)cyclohexanecarboxamide
OPENEYE Name: N-(7H-purin-6-yl)cyclohexanecarboxamide
IUPAC Name: N-(7H-purin-6-yl)cyclohexanecarboxamide
SYSTEMATIC NAME: N-(7H-purin-6-yl)cyclohexanecarboxamide
MOLECULAR FORMULA: C12H15N5O
MOLECULAR WEIGHT: 245.2804
SMILES: C1CCC(CC1)C(=O)NC2=NC=NC3=C2NC=N3
Structure:
CAS RN: 65291-43-2
CAS Name: 2-mercaptobutanedioic acid bis(2-methylpropyl) ester
OPENEYE Name: diisobutyl 2-sulfanylbutanedioate
IUPAC Name: bis(2-methylpropyl) 2-sulfanylbutanedioate
SYSTEMATIC NAME: bis(2-methylpropyl) 2-sulfanylbutanedioate
MOLECULAR FORMULA: C12H22O4S
MOLECULAR WEIGHT: 262.36568
SMILES: CC(C)COC(=O)CC(C(=O)OCC(C)C)S
Structure:
CAS RN: 65277-53-4
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid tridodecyl ester
OPENEYE Name: tridodecyl 2-hydroxypropane-1,2,3-tricarboxylate
IUPAC Name: tridodecyl 2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: tridodecyl 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C42H80O7
MOLECULAR WEIGHT: 697.0804
SMILES: CCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCC)(C(=O)OCCCCCCCCCCCC)O
Structure:
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