CAS RN: 15475-92-0
CAS Name: [4-[[4-(diethylamino)phenyl]-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium chloride
OPENEYE Name: [4-[[4-(diethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium chloride
IUPAC Name: [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
SYSTEMATIC NAME: [4-[[4-(diethylamino)phenyl]-phenyl-methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium chloride
MOLECULAR FORMULA: C25H29ClN2
MOLECULAR WEIGHT: 392.96416
SMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.[Cl-]
Structure:
CAS RN: 1975-85-5
CAS Name: N,N-dipropylcarbamothioic acid O-ethyl ester
OPENEYE Name: O-ethyl N,N-dipropylcarbamothioate
IUPAC Name: O-ethyl N,N-dipropylcarbamothioate
SYSTEMATIC NAME: O-ethyl N,N-dipropylcarbamothioate
MOLECULAR FORMULA: C9H19NOS
MOLECULAR WEIGHT: 189.31826
SMILES: CCCN(CCC)C(=S)OCC
Structure:
CAS RN: 100127-58-0
CAS Name: 3-iodo-4-propan-2-ylbenzoic acid methyl ester
OPENEYE Name: methyl 3-iodo-4-isopropyl-benzoate
IUPAC Name: methyl 3-iodo-4-propan-2-ylbenzoate
SYSTEMATIC NAME: methyl 3-iodanyl-4-propan-2-yl-benzoate
MOLECULAR FORMULA: C11H13IO2
MOLECULAR WEIGHT: 304.12419
SMILES: CC(C)C1=C(C=C(C=C1)C(=O)OC)I
Structure:
CAS RN: 148401-38-1
CAS Name: 8-fluoro-4-quinolinamine
OPENEYE Name: 8-fluoroquinolin-4-amine
IUPAC Name: 8-fluoroquinolin-4-amine
SYSTEMATIC NAME: 8-fluoranylquinolin-4-amine
MOLECULAR FORMULA: C9H7FN2
MOLECULAR WEIGHT: 162.163683
SMILES: C1=CC2=C(C=CN=C2C(=C1)F)N
Structure:
CAS RN: 173435-34-2
CAS Name: 2-chloro-4-methoxy-3-pyridinamine
OPENEYE Name: 2-chloro-4-methoxy-pyridin-3-amine
IUPAC Name: 2-chloro-4-methoxypyridin-3-amine
SYSTEMATIC NAME: 2-chloranyl-4-methoxy-pyridin-3-amine
MOLECULAR FORMULA: C6H7ClN2O
MOLECULAR WEIGHT: 158.58558
SMILES: COC1=C(C(=NC=C1)Cl)N
Structure:
CAS RN: 73833-37-1
CAS Name: 2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.11^{8}.2^{6}]heneicosan-21-one hydrochloride
OPENEYE Name: 2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.11^{8}.2^{6}]henicosan-21-one hydrochloride
IUPAC Name: 2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.11^{8}.2^{6}]henicosan-21-one hydrochloride
SYSTEMATIC NAME: 2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.11^{8}.2^{6}]henicosan-21-one hydrochloride
MOLECULAR FORMULA: C22H41ClN2O2
MOLECULAR WEIGHT: 401.02614
SMILES: CC1(CC2(CC(N1)(C)C)C(=O)NC3(O2)CCCCCCCCCCC3)C.Cl
Structure:
CAS RN: 73204-07-6
CAS Name: 4-(4-oxocyclohexyl)benzonitrile
OPENEYE Name: 4-(4-oxocyclohexyl)benzonitrile
IUPAC Name: 4-(4-oxocyclohexyl)benzonitrile
SYSTEMATIC NAME: 4-(4-oxidanylidenecyclohexyl)benzenecarbonitrile
MOLECULAR FORMULA: C13H13NO
MOLECULAR WEIGHT: 199.24842
SMILES: C1CC(=O)CCC1C2=CC=C(C=C2)C#N
Structure:
CAS RN: 153209-97-3
CAS Name: (3-methyl-3-oxetanyl)methanamine
OPENEYE Name: (3-methyloxetan-3-yl)methanamine
IUPAC Name: (3-methyloxetan-3-yl)methanamine
SYSTEMATIC NAME: (3-methyloxetan-3-yl)methanamine
MOLECULAR FORMULA: C5H11NO
MOLECULAR WEIGHT: 101.14694
SMILES: CC1(COC1)CN
Structure:
CAS RN: 60302-18-3
CAS Name: O-(4-aminooxybutyl)hydroxylamine hydrochloride
OPENEYE Name: O-(4-aminooxybutyl)hydroxylamine hydrochloride
IUPAC Name: O-(4-aminooxybutyl)hydroxylamine hydrochloride
SYSTEMATIC NAME: O-(4-azanyloxybutyl)hydroxylamine hydrochloride
MOLECULAR FORMULA: C4H13ClN2O2
MOLECULAR WEIGHT: 156.61122
SMILES: C(CCON)CON.Cl
Structure:
CAS RN: 162101-31-7
CAS Name: (2-fluoro-4-methoxyphenyl)boronic acid
OPENEYE Name: (2-fluoro-4-methoxy-phenyl)boronic acid
IUPAC Name: (2-fluoro-4-methoxyphenyl)boronic acid
SYSTEMATIC NAME: (2-fluoranyl-4-methoxy-phenyl)boronic acid
MOLECULAR FORMULA: C7H8BFO3
MOLECULAR WEIGHT: 169.946023
SMILES: B(C1=C(C=C(C=C1)OC)F)(O)O
Structure:
CAS RN: 22515-18-0
CAS Name: 4,4-difluoro-1-cyclohexanone
OPENEYE Name: 4,4-difluorocyclohexanone
IUPAC Name: 4,4-difluorocyclohexan-1-one
SYSTEMATIC NAME: 4,4-bis(fluoranyl)cyclohexan-1-one
MOLECULAR FORMULA: C6H8F2O
MOLECULAR WEIGHT: 134.123926
SMILES: C1CC(CCC1=O)(F)F
Structure:
CAS RN: 723-62-6
CAS Name: 9-anthracenecarboxylate
OPENEYE Name: anthracene-9-carboxylate
IUPAC Name: anthracene-9-carboxylate
SYSTEMATIC NAME: anthracene-9-carboxylate
MOLECULAR FORMULA: C15H9O2-
MOLECULAR WEIGHT: 221.23076
SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)[O-]
Structure:
CAS RN: 13565-97-4
CAS Name: phosphonato phosphate; zirconium(4+)
OPENEYE Name: phosphonato phosphate; zirconium(4+)
IUPAC Name: phosphonato phosphate; zirconium(4+)
SYSTEMATIC NAME: phosphonato phosphate; zirconium(4+)
MOLECULAR FORMULA: O7P2Zr
MOLECULAR WEIGHT: 265.167322
SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-].[Zr+4]
Structure:
CAS RN: 73631-02-4
CAS Name: N-[3-[[(2,3-dihydroxyphenyl)-oxomethyl]-[4-[[(2,3-dihydroxyphenyl)-oxomethyl]-[3-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]propyl]amino]butyl]amino]propyl]-2,3-dihydroxybenzamide
OPENEYE Name: N-[3-[(2,3-dihydroxybenzoyl)-[4-[(2,3-dihydroxybenzoyl)-[3-[(2,3-dihydroxybenzoyl)amino]propyl]amino]butyl]amino]propyl]-2,3-dihydroxy-benzamide
IUPAC Name: N-[3-[(2,3-dihydroxybenzoyl)-[4-[(2,3-dihydroxybenzoyl)-[3-[(2,3-dihydroxybenzoyl)amino]propyl]amino]butyl]amino]propyl]-2,3-dihydroxybenzamide
SYSTEMATIC NAME: N-[3-[[2,3-bis(oxidanyl)phenyl]carbonyl-[4-[[2,3-bis(oxidanyl)phenyl]carbonyl-[3-[[2,3-bis(oxidanyl)phenyl]carbonylamino]propyl]amino]butyl]amino]propyl]-2,3-bis(oxidanyl)benzamide
MOLECULAR FORMULA: C38H42N4O12
MOLECULAR WEIGHT: 746.75968
SMILES: C1=CC(=C(C(=C1)O)O)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=C(C(=CC=C2)O)O)C(=O)C3=C(C(=CC=C3)O)O)C(=O)C4=C(C(=CC=C4)O)O
Structure:
CAS RN: 25343-57-1
CAS Name: 1-(1,2,3,4-tetrahydropyridin-2-yl)ethanone
OPENEYE Name: 1-(1,2,3,4-tetrahydropyridin-2-yl)ethanone
IUPAC Name: 1-(1,2,3,4-tetrahydropyridin-2-yl)ethanone
SYSTEMATIC NAME: 1-(1,2,3,4-tetrahydropyridin-2-yl)ethanone
MOLECULAR FORMULA: C7H11NO
MOLECULAR WEIGHT: 125.16834
SMILES: CC(=O)C1CCC=CN1
Structure:
CAS RN: 148124-41-8
CAS Name: trisodium 2-[carboxylatomethyl-[2-[carboxylatomethyl(1-oxododecyl)amino]ethyl]amino]acetate
OPENEYE Name: trisodium 2-[carboxylatomethyl-[2-[carboxylatomethyl(dodecanoyl)amino]ethyl]amino]acetate
IUPAC Name: trisodium 2-[carboxylatomethyl-[2-[carboxylatomethyl(dodecanoyl)amino]ethyl]amino]acetate
SYSTEMATIC NAME: trisodium 2-[2-[dodecanoyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate
MOLECULAR FORMULA: C20H33N2Na3O7
MOLECULAR WEIGHT: 482.45453
SMILES: CCCCCCCCCCCC(=O)N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 19416-70-7
CAS Name: ammonium 4-nitrobenzoate
OPENEYE Name: ammonium 4-nitrobenzoate
IUPAC Name: azanium 4-nitrobenzoate
SYSTEMATIC NAME: azanium 4-nitrobenzoate
MOLECULAR FORMULA: C7H8N2O4
MOLECULAR WEIGHT: 184.14942
SMILES: C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].[NH4+]
Structure:
CAS RN: 158154-63-3
CAS Name: 5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate
IUPAC Name: ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate
MOLECULAR FORMULA: C9H14N2O3
MOLECULAR WEIGHT: 198.21906
SMILES: CCOC(=O)C1=NOC(=N1)C(C)(C)C
Structure:
CAS RN: 145767-97-1
CAS Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[[(E)-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-4-(trifluoromethylthio)-3-pyrazolecarbonitrile
OPENEYE Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[[(E)-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile
IUPAC Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile
SYSTEMATIC NAME: 1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-[[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile
MOLECULAR FORMULA: C20H10Cl2F6N4O2S
MOLECULAR WEIGHT: 555.280419
SMILES: COC1=C/C(=C/NC2=C(C(=NN2C3=C(C=C(C=C3Cl)C(F)(F)F)Cl)C#N)SC(F)(F)F)/C=CC1=O
Structure:
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