CAS RN: 7221-40-1
CAS Name: 2-hydroxyethyl-dimethyl-(phenylmethyl)ammonium chloride
OPENEYE Name: benzyl-(2-hydroxyethyl)-dimethyl-ammonium chloride
IUPAC Name: benzyl-(2-hydroxyethyl)-dimethylazanium chloride
SYSTEMATIC NAME: 2-hydroxyethyl-dimethyl-(phenylmethyl)azanium chloride
MOLECULAR FORMULA: C11H18ClNO
MOLECULAR WEIGHT: 215.71972
SMILES: C[N+](C)(CCO)CC1=CC=CC=C1.[Cl-]
Structure:
CAS RN: 7218-49-7
CAS Name: 4-phenyl-3-butynoic acid
OPENEYE Name: 4-phenylbut-3-ynoic acid
IUPAC Name: 4-phenylbut-3-ynoic acid
SYSTEMATIC NAME: 4-phenylbut-3-ynoic acid
MOLECULAR FORMULA: C10H8O2
MOLECULAR WEIGHT: 160.16932
SMILES: C1=CC=C(C=C1)C#CCC(=O)O
Structure:
CAS RN: 7170-66-3
CAS Name: 6-(2,4-dichlorophenoxy)hexanoic acid
OPENEYE Name: 6-(2,4-dichlorophenoxy)hexanoic acid
IUPAC Name: 6-(2,4-dichlorophenoxy)hexanoic acid
SYSTEMATIC NAME: 6-[2,4-bis(chloranyl)phenoxy]hexanoic acid
MOLECULAR FORMULA: C12H14Cl2O3
MOLECULAR WEIGHT: 277.14376
SMILES: C1=CC(=C(C=C1Cl)Cl)OCCCCCC(=O)O
Structure:
CAS RN: 7161-73-1
CAS Name: 2-mercaptoethyl(trimethyl)ammonium iodide
OPENEYE Name: trimethyl(2-sulfanylethyl)ammonium iodide
IUPAC Name: trimethyl(2-sulfanylethyl)azanium iodide
SYSTEMATIC NAME: trimethyl(2-sulfanylethyl)azanium iodide
MOLECULAR FORMULA: C5H14INS
MOLECULAR WEIGHT: 247.14083
SMILES: C[N+](C)(C)CCS.[I-]
Structure:
CAS RN: 7137-22-6
CAS Name: 2,3,6-trimethylbenzofuran
OPENEYE Name: 2,3,6-trimethylbenzofuran
IUPAC Name: 2,3,6-trimethyl-1-benzofuran
SYSTEMATIC NAME: 2,3,6-trimethyl-1-benzofuran
MOLECULAR FORMULA: C11H12O
MOLECULAR WEIGHT: 160.21238
SMILES: CC1=CC2=C(C=C1)C(=C(O2)C)C
Structure:
CAS RN: 7106-00-5
CAS Name: (3-methyl-3-bicyclo[2.2.1]heptanyl)methanamine
OPENEYE Name: (2-methylnorbornan-2-yl)methanamine
IUPAC Name: (3-methyl-3-bicyclo[2.2.1]heptanyl)methanamine
SYSTEMATIC NAME: (3-methyl-3-bicyclo[2.2.1]heptanyl)methanamine
MOLECULAR FORMULA: C9H17N
MOLECULAR WEIGHT: 139.23798
SMILES: CC1(CC2CCC1C2)CN
Structure:
CAS RN: 7090-45-1
CAS Name: 1,2,3,4,5,6,7,8-octachlorobiphenylene
OPENEYE Name: 1,2,3,4,5,6,7,8-octachlorobiphenylene
IUPAC Name: 1,2,3,4,5,6,7,8-octachlorobiphenylene
SYSTEMATIC NAME: 1,2,3,4,5,6,7,8-octakis(chloranyl)biphenylene
MOLECULAR FORMULA: C12Cl8
MOLECULAR WEIGHT: 427.7524
SMILES: C12=C(C3=C1C(=C(C(=C3Cl)Cl)Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl
Structure:
CAS RN: 7086-79-5
CAS Name: 3-(1-methylethenyl)-6-oxoheptanal
OPENEYE Name: 3-isopropenyl-6-oxo-heptanal
IUPAC Name: 6-oxo-3-prop-1-en-2-ylheptanal
SYSTEMATIC NAME: 6-oxidanylidene-3-prop-1-en-2-yl-heptanal
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: CC(=C)C(CCC(=O)C)CC=O
Structure:
CAS RN: 7084-11-9
CAS Name: N'-[3-(dimethylamino)propyl]propanimidamide hydrochloride
OPENEYE Name: N'-[3-(dimethylamino)propyl]propanamidine hydrochloride
IUPAC Name: N'-[3-(dimethylamino)propyl]propanimidamide hydrochloride
SYSTEMATIC NAME: N'-[3-(dimethylamino)propyl]propanimidamide hydrochloride
MOLECULAR FORMULA: C8H20ClN3
MOLECULAR WEIGHT: 193.7175
SMILES: CCC(=NCCCN(C)C)N.Cl
Structure:
CAS RN: 6991-29-3
CAS Name: 2,3-dichloro-4-(2-nitrophenyl)-1H-pyrrole
OPENEYE Name: 2,3-dichloro-4-(2-nitrophenyl)-1H-pyrrole
IUPAC Name: 2,3-dichloro-4-(2-nitrophenyl)-1H-pyrrole
SYSTEMATIC NAME: 2,3-bis(chloranyl)-4-(2-nitrophenyl)-1H-pyrrole
MOLECULAR FORMULA: C10H6Cl2N2O2
MOLECULAR WEIGHT: 257.07284
SMILES: C1=CC=C(C(=C1)C2=CNC(=C2Cl)Cl)[N+](=O)[O-]
Structure:
CAS RN: 6903-83-9
CAS Name: 1-(2-hydroxyethyl)-1-methylguanidine hydrobromide
OPENEYE Name: 1-(2-hydroxyethyl)-1-methyl-guanidine hydrobromide
IUPAC Name: 1-(2-hydroxyethyl)-1-methylguanidine hydrobromide
SYSTEMATIC NAME: 1-(2-hydroxyethyl)-1-methyl-guanidine hydrobromide
MOLECULAR FORMULA: C4H12BrN3O
MOLECULAR WEIGHT: 198.06158
SMILES: CN(CCO)C(=N)N.Br
Structure:
CAS RN: 6854-01-9
CAS Name: phosphoric acid diethyl 8-quinolinyl ester
OPENEYE Name: diethyl 8-quinolyl phosphate
IUPAC Name: diethyl quinolin-8-yl phosphate
SYSTEMATIC NAME: diethyl quinolin-8-yl phosphate
MOLECULAR FORMULA: C13H16NO4P
MOLECULAR WEIGHT: 281.244201
SMILES: CCOP(=O)(OCC)OC1=CC=CC2=C1N=CC=C2
Structure:
CAS RN: 6849-30-5
CAS Name: propoxymethanol
OPENEYE Name: propoxymethanol
IUPAC Name: propoxymethanol
SYSTEMATIC NAME: propoxymethanol
MOLECULAR FORMULA: C4H10O2
MOLECULAR WEIGHT: 90.121
SMILES: CCCOCO
Structure:
CAS RN: 6849-18-9
CAS Name: 4-methyl-3-pentenoic acid ethyl ester
OPENEYE Name: ethyl 4-methylpent-3-enoate
IUPAC Name: ethyl 4-methylpent-3-enoate
SYSTEMATIC NAME: ethyl 4-methylpent-3-enoate
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CCOC(=O)CC=C(C)C
Structure:
CAS RN: 6683-35-8
CAS Name: 1,2-dibromo-4-(4-bromophenyl)benzene
OPENEYE Name: 1,2-dibromo-4-(4-bromophenyl)benzene
IUPAC Name: 1,2-dibromo-4-(4-bromophenyl)benzene
SYSTEMATIC NAME: 1,2-bis(bromanyl)-4-(4-bromophenyl)benzene
MOLECULAR FORMULA: C12H7Br3
MOLECULAR WEIGHT: 390.89598
SMILES: C1=CC(=CC=C1C2=CC(=C(C=C2)Br)Br)Br
Structure:
CAS RN: 6682-62-8
CAS Name: 1-[1,1-dimethyl-4,6-di(propan-2-yl)-2,3-dihydroinden-5-yl]-1-propanone
OPENEYE Name: 1-(4,6-diisopropyl-1,1-dimethyl-indan-5-yl)propan-1-one
IUPAC Name: 1-[1,1-dimethyl-4,6-di(propan-2-yl)-2,3-dihydroinden-5-yl]propan-1-one
SYSTEMATIC NAME: 1-[1,1-dimethyl-4,6-di(propan-2-yl)-2,3-dihydroinden-5-yl]propan-1-one
MOLECULAR FORMULA: C20H30O
MOLECULAR WEIGHT: 286.4516
SMILES: CCC(=O)C1=C(C=C2C(=C1C(C)C)CCC2(C)C)C(C)C
Structure:
CAS RN: 6672-58-8
CAS Name: 1,5-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine hydrochloride
OPENEYE Name: 1,5-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine hydrochloride
IUPAC Name: 1,5-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine hydrochloride
SYSTEMATIC NAME: 1,5-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine hydrochloride
MOLECULAR FORMULA: C13H18ClN
MOLECULAR WEIGHT: 223.74172
SMILES: CC1=C(CCN(C1)C)C2=CC=CC=C2.Cl
Structure:
CAS RN: 6610-10-2
CAS Name: N-(6-hydroxy-2-naphthalenyl)acetamide
OPENEYE Name: N-(6-hydroxy-2-naphthyl)acetamide
IUPAC Name: N-(6-hydroxynaphthalen-2-yl)acetamide
SYSTEMATIC NAME: N-(6-oxidanylnaphthalen-2-yl)ethanamide
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: CC(=O)NC1=CC2=C(C=C1)C=C(C=C2)O
Structure:
CAS RN: 6575-06-0
CAS Name: 3,4,5-trichlorobenzonitrile
OPENEYE Name: 3,4,5-trichlorobenzonitrile
IUPAC Name: 3,4,5-trichlorobenzonitrile
SYSTEMATIC NAME: 3,4,5-tris(chloranyl)benzenecarbonitrile
MOLECULAR FORMULA: C7H2Cl3N
MOLECULAR WEIGHT: 206.45648
SMILES: C1=C(C=C(C(=C1Cl)Cl)Cl)C#N
Structure:
CAS RN: 6527-32-8
CAS Name: 3,5-dimethoxy-4-phenylmethoxybenzaldehyde
OPENEYE Name: 4-benzyloxy-3,5-dimethoxy-benzaldehyde
IUPAC Name: 3,5-dimethoxy-4-phenylmethoxybenzaldehyde
SYSTEMATIC NAME: 3,5-dimethoxy-4-phenylmethoxy-benzaldehyde
MOLECULAR FORMULA: C16H16O4
MOLECULAR WEIGHT: 272.29584
SMILES: COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C=O
Structure:
CAS RN: 6477-28-7
CAS Name: 1-phenyl-3-(2,4,6-trimethylphenyl)propane-1,3-dione
OPENEYE Name: 1-phenyl-3-(2,4,6-trimethylphenyl)propane-1,3-dione
IUPAC Name: 1-phenyl-3-(2,4,6-trimethylphenyl)propane-1,3-dione
SYSTEMATIC NAME: 1-phenyl-3-(2,4,6-trimethylphenyl)propane-1,3-dione
MOLECULAR FORMULA: C18H18O2
MOLECULAR WEIGHT: 266.33432
SMILES: CC1=CC(=C(C(=C1)C)C(=O)CC(=O)C2=CC=CC=C2)C
Structure:
CAS RN: 6436-62-0
CAS Name: 4-isoxazolecarboxylic acid
OPENEYE Name: isoxazole-4-carboxylic acid
IUPAC Name: 1,2-oxazole-4-carboxylic acid
SYSTEMATIC NAME: 1,2-oxazole-4-carboxylic acid
MOLECULAR FORMULA: C4H3NO3
MOLECULAR WEIGHT: 113.07152
SMILES: C1=C(C=NO1)C(=O)O
Structure:
CAS RN: 6425-01-0
CAS Name: tetrasodium 4,8-diamino-1,5-dioxido-9,10-dioxoanthracene-2,6-disulfonate
OPENEYE Name: tetrasodium 4,8-diamino-1,5-dioxido-9,10-dioxo-anthracene-2,6-disulfonate
IUPAC Name: tetrasodium 4,8-diamino-1,5-dioxido-9,10-dioxoanthracene-2,6-disulfonate
SYSTEMATIC NAME: tetrasodium 4,8-bis(azanyl)-1,5-bis(oxidanidyl)-9,10-bis(oxidanylidene)anthracene-2,6-disulfonate
MOLECULAR FORMULA: C14H6N2Na4O10S2
MOLECULAR WEIGHT: 518.29392
SMILES: C1=C(C2=C(C(=C1S(=O)(=O)[O-])[O-])C(=O)C3=C(C2=O)C(=C(C=C3N)S(=O)(=O)[O-])[O-])N.[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 6409-55-8
CAS Name: 2,5-diamino-4-methoxybenzenesulfonic acid
OPENEYE Name: 2,5-diamino-4-methoxy-benzenesulfonic acid
IUPAC Name: 2,5-diamino-4-methoxybenzenesulfonic acid
SYSTEMATIC NAME: 2,5-bis(azanyl)-4-methoxy-benzenesulfonic acid
MOLECULAR FORMULA: C7H10N2O4S
MOLECULAR WEIGHT: 218.2303
SMILES: COC1=C(C=C(C(=C1)N)S(=O)(=O)O)N
Structure:
CAS RN: 6398-50-1
CAS Name: 6-methoxy-3,4-dihydronaphthalene-1-carbonitrile
OPENEYE Name: 6-methoxy-3,4-dihydronaphthalene-1-carbonitrile
IUPAC Name: 6-methoxy-3,4-dihydronaphthalene-1-carbonitrile
SYSTEMATIC NAME: 6-methoxy-3,4-dihydronaphthalene-1-carbonitrile
MOLECULAR FORMULA: C12H11NO
MOLECULAR WEIGHT: 185.22184
SMILES: COC1=CC2=C(C=C1)C(=CCC2)C#N
Structure:
CAS RN: 6137-38-8
CAS Name: 3,5-dichloro-N-(3-chlorophenyl)-2-hydroxybenzamide
OPENEYE Name: 3,5-dichloro-N-(3-chlorophenyl)-2-hydroxy-benzamide
IUPAC Name: 3,5-dichloro-N-(3-chlorophenyl)-2-hydroxybenzamide
SYSTEMATIC NAME: 3,5-bis(chloranyl)-N-(3-chlorophenyl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C13H8Cl3NO2
MOLECULAR WEIGHT: 316.56712
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)C2=CC(=CC(=C2O)Cl)Cl
Structure:
CAS RN: 6111-14-4
CAS Name: 1,1,1-trichloro-4-methyl-3-penten-2-ol
OPENEYE Name: 1,1,1-trichloro-4-methyl-pent-3-en-2-ol
IUPAC Name: 1,1,1-trichloro-4-methylpent-3-en-2-ol
SYSTEMATIC NAME: 1,1,1-tris(chloranyl)-4-methyl-pent-3-en-2-ol
MOLECULAR FORMULA: C6H9Cl3O
MOLECULAR WEIGHT: 203.49406
SMILES: CC(=CC(C(Cl)(Cl)Cl)O)C
Structure:
CAS RN: 5972-76-9
CAS Name: ammonium octanoate
OPENEYE Name: ammonium octanoate
IUPAC Name: azanium octanoate
SYSTEMATIC NAME: azanium octanoate
MOLECULAR FORMULA: C8H19NO2
MOLECULAR WEIGHT: 161.24196
SMILES: CCCCCCCC(=O)[O-].[NH4+]
Structure:
CAS RN: 5967-90-8
CAS Name: thiomorpholine hydrochloride
OPENEYE Name: thiomorpholine hydrochloride
IUPAC Name: thiomorpholine hydrochloride
SYSTEMATIC NAME: thiomorpholine hydrochloride
MOLECULAR FORMULA: C4H10ClNS
MOLECULAR WEIGHT: 139.6469
SMILES: C1CSCCN1.Cl
Structure:
CAS RN: 15414-77-4
CAS Name: bismuth 2-hydroxybenzoate
OPENEYE Name: bismuth 2-hydroxybenzoate
IUPAC Name: bismuth 2-hydroxybenzoate
SYSTEMATIC NAME: bismuth 2-oxidanylbenzoate
MOLECULAR FORMULA: C7H5BiO3+2
MOLECULAR WEIGHT: 346.09318
SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Bi+3]
Structure:
CAS RN: 5760-20-3
CAS Name: 2-quinolinylmethanamine
OPENEYE Name: 2-quinolylmethanamine
IUPAC Name: quinolin-2-ylmethanamine
SYSTEMATIC NAME: quinolin-2-ylmethanamine
MOLECULAR FORMULA: C10H10N2
MOLECULAR WEIGHT: 158.1998
SMILES: C1=CC=C2C(=C1)C=CC(=N2)CN
Structure:
No comments:
Post a Comment