CAS RN: 65021-23-0
CAS Name: 3,3,6-trimethyl-1,2-dihydroinden-5-ol
OPENEYE Name: 3,3,6-trimethylindan-5-ol
IUPAC Name: 3,3,6-trimethyl-1,2-dihydroinden-5-ol
SYSTEMATIC NAME: 3,3,6-trimethyl-1,2-dihydroinden-5-ol
MOLECULAR FORMULA: C12H16O
MOLECULAR WEIGHT: 176.25484
SMILES: CC1=C(C=C2C(=C1)CCC2(C)C)O
Structure:
CAS RN: 93838-91-6
CAS Name: 4-amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide
OPENEYE Name: 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide
IUPAC Name: 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
SYSTEMATIC NAME: 4-azanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide
MOLECULAR FORMULA: C15H24N4O4S
MOLECULAR WEIGHT: 356.44046
SMILES: CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)N
Structure:
CAS RN: 65016-40-2
CAS Name: 4-amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide hydrochloride
OPENEYE Name: 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide hydrochloride
IUPAC Name: 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide hydrochloride
SYSTEMATIC NAME: 4-azanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide hydrochloride
MOLECULAR FORMULA: C15H25ClN4O4S
MOLECULAR WEIGHT: 392.9014
SMILES: CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)N.Cl
Structure:
CAS RN: 64985-85-9
CAS Name: 2-(2,5-dichlorophenyl)-2-oxoacetonitrile
OPENEYE Name: 2,5-dichlorobenzoyl cyanide
IUPAC Name: 2,5-dichlorobenzoyl cyanide
SYSTEMATIC NAME: 2-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethanenitrile
MOLECULAR FORMULA: C8H3Cl2NO
MOLECULAR WEIGHT: 200.02152
SMILES: C1=CC(=C(C=C1Cl)C(=O)C#N)Cl
Structure:
CAS RN: 64977-35-1
CAS Name: 5-methyl-6H-chrysene-5,6-diol
OPENEYE Name: 5-methyl-6H-chrysene-5,6-diol
IUPAC Name: 5-methyl-6H-chrysene-5,6-diol
SYSTEMATIC NAME: 5-methyl-6H-chrysene-5,6-diol
MOLECULAR FORMULA: C19H16O2
MOLECULAR WEIGHT: 276.32914
SMILES: CC1(C(C2=CC=CC=C2C3=C1C4=CC=CC=C4C=C3)O)O
Structure:
CAS RN: 64835-96-7
CAS Name: 4-(2-furanylmethylthio)-4-methyl-2-pentanone
OPENEYE Name: 4-(2-furylmethylsulfanyl)-4-methyl-pentan-2-one
IUPAC Name: 4-(furan-2-ylmethylsulfanyl)-4-methylpentan-2-one
SYSTEMATIC NAME: 4-(furan-2-ylmethylsulfanyl)-4-methyl-pentan-2-one
MOLECULAR FORMULA: C11H16O2S
MOLECULAR WEIGHT: 212.30854
SMILES: CC(=O)CC(C)(C)SCC1=CC=CO1
Structure:
CAS RN: 64817-96-5
CAS Name: 2,6-diamino-2-methylhexanoic acid
OPENEYE Name: 2,6-diamino-2-methyl-hexanoic acid
IUPAC Name: 2,6-diamino-2-methylhexanoic acid
SYSTEMATIC NAME: 2,6-bis(azanyl)-2-methyl-hexanoic acid
MOLECULAR FORMULA: C7H16N2O2
MOLECULAR WEIGHT: 160.21414
SMILES: CC(CCCCN)(C(=O)O)N
Structure:
CAS RN: 64725-05-9
CAS Name: 4-[1-hydroxy-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]-3-methoxybenzene-1,2-diol
OPENEYE Name: 4-[2-[(1,1-dimethyl-3-phenyl-propyl)amino]-1-hydroxy-ethyl]-3-methoxy-benzene-1,2-diol
IUPAC Name: 4-[1-hydroxy-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]-3-methoxybenzene-1,2-diol
SYSTEMATIC NAME: 3-methoxy-4-[2-[(2-methyl-4-phenyl-butan-2-yl)amino]-1-oxidanyl-ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C20H27NO4
MOLECULAR WEIGHT: 345.43268
SMILES: CC(C)(CCC1=CC=CC=C1)NCC(C2=C(C(=C(C=C2)O)O)OC)O
Structure:
CAS RN: 64697-38-7
CAS Name: 1,3,3-trichloro-2-butanone
OPENEYE Name: 1,3,3-trichlorobutan-2-one
IUPAC Name: 1,3,3-trichlorobutan-2-one
SYSTEMATIC NAME: 1,3,3-tris(chloranyl)butan-2-one
MOLECULAR FORMULA: C4H5Cl3O
MOLECULAR WEIGHT: 175.4409
SMILES: CC(C(=O)CCl)(Cl)Cl
Structure:
CAS RN: 64690-19-3
CAS Name: N-octyl-4-pyridinamine
OPENEYE Name: N-octylpyridin-4-amine
IUPAC Name: N-octylpyridin-4-amine
SYSTEMATIC NAME: N-octylpyridin-4-amine
MOLECULAR FORMULA: C13H22N2
MOLECULAR WEIGHT: 206.32718
SMILES: CCCCCCCCNC1=CC=NC=C1
Structure:
CAS RN: 64641-87-8
CAS Name: N-(1-oxoprop-2-enyl)carbamic acid butyl ester
OPENEYE Name: butyl N-prop-2-enoylcarbamate
IUPAC Name: butyl N-prop-2-enoylcarbamate
SYSTEMATIC NAME: butyl N-prop-2-enoylcarbamate
MOLECULAR FORMULA: C8H13NO3
MOLECULAR WEIGHT: 171.19372
SMILES: CCCCOC(=O)NC(=O)C=C
Structure:
CAS RN: 64634-93-1
CAS Name: 3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)-2-butanone
OPENEYE Name: 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one
IUPAC Name: 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one
SYSTEMATIC NAME: 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one
MOLECULAR FORMULA: C14H24O
MOLECULAR WEIGHT: 208.33976
SMILES: CC1=CCCC(C1CC(C)C(=O)C)(C)C
Structure:
CAS RN: 64527-57-7
CAS Name: N'-[3-(diethylamino)propyl]-2-methylpropanimidamide
OPENEYE Name: N'-[3-(diethylamino)propyl]-2-methyl-propanamidine
IUPAC Name: N'-[3-(diethylamino)propyl]-2-methylpropanimidamide
SYSTEMATIC NAME: N'-[3-(diethylamino)propyl]-2-methyl-propanimidamide
MOLECULAR FORMULA: C11H25N3
MOLECULAR WEIGHT: 199.3363
SMILES: CCN(CC)CCCN=C(C(C)C)N
Structure:
CAS RN: 64497-21-8
CAS Name: 4-[(4-aminophenyl)methyl]-2-methylaniline
OPENEYE Name: 4-[(4-aminophenyl)methyl]-2-methyl-aniline
IUPAC Name: 4-[(4-aminophenyl)methyl]-2-methylaniline
SYSTEMATIC NAME: 4-[(4-aminophenyl)methyl]-2-methyl-aniline
MOLECULAR FORMULA: C14H16N2
MOLECULAR WEIGHT: 212.29024
SMILES: CC1=C(C=CC(=C1)CC2=CC=C(C=C2)N)N
Structure:
CAS RN: 64485-21-8
CAS Name: 2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-(4-hexadecylsulfonylanilino)-4-[4-(2-phenoxyethoxy)phenyl]azo-4H-pyrazol-3-one
OPENEYE Name: 2-[2-(2-chloro-1,1,2-trifluoro-ethoxy)phenyl]-5-(4-hexadecylsulfonylanilino)-4-[4-(2-phenoxyethoxy)phenyl]azo-4H-pyrazol-3-one
IUPAC Name: 2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-(4-hexadecylsulfonylanilino)-4-[[4-(2-phenoxyethoxy)phenyl]diazenyl]-4H-pyrazol-3-one
SYSTEMATIC NAME: 2-[2-[2-chloranyl-1,1,2-tris(fluoranyl)ethoxy]phenyl]-5-[(4-hexadecylsulfonylphenyl)amino]-4-[[4-(2-phenoxyethoxy)phenyl]diazenyl]-4H-pyrazol-3-one
MOLECULAR FORMULA: C47H57ClF3N5O6S
MOLECULAR WEIGHT: 912.49859
SMILES: CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)NC2=NN(C(=O)C2N=NC3=CC=C(C=C3)OCCOC4=CC=CC=C4)C5=CC=CC=C5OC(C(F)Cl)(F)F
Structure:
CAS RN: 64479-84-1
CAS Name: 1-(3-hydroxyphenyl)-2-propanone
OPENEYE Name: 1-(3-hydroxyphenyl)propan-2-one
IUPAC Name: 1-(3-hydroxyphenyl)propan-2-one
SYSTEMATIC NAME: 1-(3-hydroxyphenyl)propan-2-one
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: CC(=O)CC1=CC(=CC=C1)O
Structure:
CAS RN: 64437-72-5
CAS Name: N-[(carbamoylamino)methyl]-2-propenamide
OPENEYE Name: N-(ureidomethyl)prop-2-enamide
IUPAC Name: N-[(carbamoylamino)methyl]prop-2-enamide
SYSTEMATIC NAME: N-[(aminocarbonylamino)methyl]prop-2-enamide
MOLECULAR FORMULA: C5H9N3O2
MOLECULAR WEIGHT: 143.14386
SMILES: C=CC(=O)NCNC(=O)N
Structure:
CAS RN: 64419-24-5
CAS Name: 2,4-dihydroxybenzonitrile
OPENEYE Name: 2,4-dihydroxybenzonitrile
IUPAC Name: 2,4-dihydroxybenzonitrile
SYSTEMATIC NAME: 2,4-bis(oxidanyl)benzenecarbonitrile
MOLECULAR FORMULA: C7H5NO2
MOLECULAR WEIGHT: 135.1201
SMILES: C1=CC(=C(C=C1O)O)C#N
Structure:
CAS RN: 64391-39-5
CAS Name: 1-undecen-2-ol
OPENEYE Name: undec-1-en-2-ol
IUPAC Name: undec-1-en-2-ol
SYSTEMATIC NAME: undec-1-en-2-ol
MOLECULAR FORMULA: C11H22O
MOLECULAR WEIGHT: 170.29178
SMILES: CCCCCCCCCC(=C)O
Structure:
CAS RN: 31795-44-5
CAS Name: 5-formyl-2-furansulfonate
OPENEYE Name: 5-formylfuran-2-sulfonate
IUPAC Name: 5-formylfuran-2-sulfonate
SYSTEMATIC NAME: 5-methanoylfuran-2-sulfonate
MOLECULAR FORMULA: C5H3O5S-
MOLECULAR WEIGHT: 175.13932
SMILES: C1=C(OC(=C1)S(=O)(=O)[O-])C=O
Structure:
CAS RN: 64369-68-2
CAS Name: 1-pyrrolidinecarbothioic S-acid
OPENEYE Name: pyrrolidine-1-carbothioic S-acid
IUPAC Name: pyrrolidine-1-carbothioic S-acid
SYSTEMATIC NAME: pyrrolidine-1-carbothioic S-acid
MOLECULAR FORMULA: C5H9NOS
MOLECULAR WEIGHT: 131.19606
SMILES: C1CCN(C1)C(=O)S
Structure:
CAS RN: 64291-96-9
CAS Name: 3-methyl-2-(4-methylphenyl)pyridine
OPENEYE Name: 3-methyl-2-(p-tolyl)pyridine
IUPAC Name: 3-methyl-2-(4-methylphenyl)pyridine
SYSTEMATIC NAME: 3-methyl-2-(4-methylphenyl)pyridine
MOLECULAR FORMULA: C13H13N
MOLECULAR WEIGHT: 183.24902
SMILES: CC1=CC=C(C=C1)C2=C(C=CC=N2)C
Structure:
CAS RN: 64265-49-2
CAS Name: N-[2-[bis(2-hydroxyethyl)amino]ethyl]octadecanamide hydrochloride
OPENEYE Name: N-[2-[bis(2-hydroxyethyl)amino]ethyl]octadecanamide hydrochloride
IUPAC Name: N-[2-[bis(2-hydroxyethyl)amino]ethyl]octadecanamide hydrochloride
SYSTEMATIC NAME: N-[2-[bis(2-hydroxyethyl)amino]ethyl]octadecanamide hydrochloride
MOLECULAR FORMULA: C24H51ClN2O3
MOLECULAR WEIGHT: 451.12634
SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CCO.Cl
Structure:
CAS RN: 64264-44-4
CAS Name: 2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethyl dihydrogen phosphate
OPENEYE Name: 2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethyl dihydrogen phosphate
IUPAC Name: 2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethyl dihydrogen phosphate
SYSTEMATIC NAME: 2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfonyl-propyl-amino]ethyl dihydrogen phosphate
MOLECULAR FORMULA: C13H13F17NO6PS
MOLECULAR WEIGHT: 665.257035
SMILES: CCCN(CCOP(=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: 64241-78-7
CAS Name: 3-methoxy-2,2-dimethylpropanoic acid
OPENEYE Name: 3-methoxy-2,2-dimethyl-propanoic acid
IUPAC Name: 3-methoxy-2,2-dimethylpropanoic acid
SYSTEMATIC NAME: 3-methoxy-2,2-dimethyl-propanoic acid
MOLECULAR FORMULA: C6H12O3
MOLECULAR WEIGHT: 132.15768
SMILES: CC(C)(COC)C(=O)O
Structure:
CAS RN: 64240-64-8
CAS Name: 4-hexoxybenzoic acid [4-[octan-2-yloxy(oxo)methyl]phenyl] ester
OPENEYE Name: [4-(1-methylheptoxycarbonyl)phenyl] 4-hexoxybenzoate
IUPAC Name: (4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate
SYSTEMATIC NAME: (4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate
MOLECULAR FORMULA: C28H38O5
MOLECULAR WEIGHT: 454.59832
SMILES: CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC
Structure:
CAS RN: 64195-85-3
CAS Name: 5-methyl-2,4-dioxohexanoic acid ethyl ester
OPENEYE Name: ethyl 5-methyl-2,4-dioxo-hexanoate
IUPAC Name: ethyl 5-methyl-2,4-dioxohexanoate
SYSTEMATIC NAME: ethyl 5-methyl-2,4-bis(oxidanylidene)hexanoate
MOLECULAR FORMULA: C9H14O4
MOLECULAR WEIGHT: 186.20506
SMILES: CCOC(=O)C(=O)CC(=O)C(C)C
Structure:
CAS RN: 64182-61-2
CAS Name: 1-chloro-3-fluoro-2-nitrobenzene
OPENEYE Name: 1-chloro-3-fluoro-2-nitro-benzene
IUPAC Name: 1-chloro-3-fluoro-2-nitrobenzene
SYSTEMATIC NAME: 1-chloranyl-3-fluoranyl-2-nitro-benzene
MOLECULAR FORMULA: C6H3ClFNO2
MOLECULAR WEIGHT: 175.544923
SMILES: C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])F
Structure:
CAS RN: 64169-92-2
CAS Name: 6-hydroxy-2-methyl-4-oxo-1H-pyridine-3-carbonitrile
OPENEYE Name: 6-hydroxy-2-methyl-4-oxo-1H-pyridine-3-carbonitrile
IUPAC Name: 6-hydroxy-2-methyl-4-oxo-1H-pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-methyl-6-oxidanyl-4-oxidanylidene-1H-pyridine-3-carbonitrile
MOLECULAR FORMULA: C7H6N2O2
MOLECULAR WEIGHT: 150.13474
SMILES: CC1=C(C(=O)C=C(N1)O)C#N
Structure:
CAS RN: 64165-41-9
CAS Name: N,N,N',N'-tetrakis(2-hydroxyethyl)propanediamide
OPENEYE Name: N,N,N',N'-tetrakis(2-hydroxyethyl)propanediamide
IUPAC Name: N,N,N',N'-tetrakis(2-hydroxyethyl)propanediamide
SYSTEMATIC NAME: N,N,N',N'-tetrakis(2-hydroxyethyl)propanediamide
MOLECULAR FORMULA: C11H22N2O6
MOLECULAR WEIGHT: 278.30218
SMILES: C(CO)N(CCO)C(=O)CC(=O)N(CCO)CCO
Structure:
CAS RN: 64158-75-4
CAS Name: 2-aminobenzene-1,4-diol hydrobromide
OPENEYE Name: 2-aminobenzene-1,4-diol hydrobromide
IUPAC Name: 2-aminobenzene-1,4-diol hydrobromide
SYSTEMATIC NAME: 2-azanylbenzene-1,4-diol hydrobromide
MOLECULAR FORMULA: C6H8BrNO2
MOLECULAR WEIGHT: 206.03722
SMILES: C1=CC(=C(C=C1O)N)O.Br
Structure:
CAS RN: 64134-59-4
CAS Name: 5-azido-2-(4-methoxyanilino)benzoic acid methyl ester
OPENEYE Name: methyl 5-azido-2-(4-methoxyanilino)benzoate
IUPAC Name: methyl 5-azido-2-(4-methoxyanilino)benzoate
SYSTEMATIC NAME: methyl 5-azido-2-[(4-methoxyphenyl)amino]benzoate
MOLECULAR FORMULA: C15H14N4O3
MOLECULAR WEIGHT: 298.29666
SMILES: COC1=CC=C(C=C1)NC2=C(C=C(C=C2)N=[N+]=[N-])C(=O)OC
Structure:
CAS RN: 64131-21-1
CAS Name: tetradecanoic acid 2,2-bis(hydroxymethyl)butyl ester
OPENEYE Name: 2,2-bis(hydroxymethyl)butyl tetradecanoate
IUPAC Name: 2,2-bis(hydroxymethyl)butyl tetradecanoate
SYSTEMATIC NAME: 2,2-bis(hydroxymethyl)butyl tetradecanoate
MOLECULAR FORMULA: C20H40O4
MOLECULAR WEIGHT: 344.5292
SMILES: CCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO
Structure:
CAS RN: 64131-20-0
CAS Name: dodecanoic acid 2,2-bis(hydroxymethyl)butyl ester
OPENEYE Name: 2,2-bis(hydroxymethyl)butyl dodecanoate
IUPAC Name: 2,2-bis(hydroxymethyl)butyl dodecanoate
SYSTEMATIC NAME: 2,2-bis(hydroxymethyl)butyl dodecanoate
MOLECULAR FORMULA: C18H36O4
MOLECULAR WEIGHT: 316.47604
SMILES: CCCCCCCCCCCC(=O)OCC(CC)(CO)CO
Structure:
CAS RN: 64131-19-7
CAS Name: decanoic acid 2,2-bis(hydroxymethyl)butyl ester
OPENEYE Name: 2,2-bis(hydroxymethyl)butyl decanoate
IUPAC Name: 2,2-bis(hydroxymethyl)butyl decanoate
SYSTEMATIC NAME: 2,2-bis(hydroxymethyl)butyl decanoate
MOLECULAR FORMULA: C16H32O4
MOLECULAR WEIGHT: 288.42288
SMILES: CCCCCCCCCC(=O)OCC(CC)(CO)CO
Structure:
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