CAS RN: 69049-03-2
CAS Name: 1-(2-chloroethyl)-4-ethyl-5-tetrazolone
OPENEYE Name: 1-(2-chloroethyl)-4-ethyl-tetrazol-5-one
IUPAC Name: 1-(2-chloroethyl)-4-ethyltetrazol-5-one
SYSTEMATIC NAME: 1-(2-chloroethyl)-4-ethyl-1,2,3,4-tetrazol-5-one
MOLECULAR FORMULA: C5H9ClN4O
MOLECULAR WEIGHT: 176.60416
SMILES: CCN1C(=O)N(N=N1)CCCl
Structure:
CAS RN: 69016-12-2
CAS Name: 2-cyano-2-(1-cyclohexenyl)propanoic acid methyl ester
OPENEYE Name: methyl 2-cyano-2-(cyclohexen-1-yl)propanoate
IUPAC Name: methyl 2-cyano-2-(cyclohexen-1-yl)propanoate
SYSTEMATIC NAME: methyl 2-cyano-2-(cyclohexen-1-yl)propanoate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CC(C#N)(C1=CCCCC1)C(=O)OC
Structure:
CAS RN: 69007-46-1
CAS Name: 6-tert-butyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
OPENEYE Name: 6-tert-butyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
IUPAC Name: 6-tert-butyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
SYSTEMATIC NAME: 6-tert-butyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CC(C)(C)C1CCC2=C(C1)CCC(=O)C2
Structure:
CAS RN: 68978-46-1
CAS Name: 1-octadecyl-2-[4-[[1-oxo-2-[4-[2-oxo-5-[(1-phenyl-5-tetrazolyl)thio]-5H-oxazol-4-yl]phenoxy]ethyl]amino]phenyl]-5-benzimidazolesulfonic acid
OPENEYE Name: 1-octadecyl-2-[4-[[2-[4-[2-oxo-5-(1-phenyltetrazol-5-yl)sulfanyl-5H-oxazol-4-yl]phenoxy]acetyl]amino]phenyl]benzimidazole-5-sulfonic acid
IUPAC Name: 1-octadecyl-2-[4-[[2-[4-[2-oxo-5-(1-phenyltetrazol-5-yl)sulfanyl-5H-1,3-oxazol-4-yl]phenoxy]acetyl]amino]phenyl]benzimidazole-5-sulfonic acid
SYSTEMATIC NAME: 1-octadecyl-2-[4-[2-[4-[2-oxidanylidene-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5H-1,3-oxazol-4-yl]phenoxy]ethanoylamino]phenyl]benzimidazole-5-sulfonic acid
MOLECULAR FORMULA: C49H58N8O7S2
MOLECULAR WEIGHT: 935.16422
SMILES: CCCCCCCCCCCCCCCCCCN1C2=C(C=C(C=C2)S(=O)(=O)O)N=C1C3=CC=C(C=C3)NC(=O)COC4=CC=C(C=C4)C5=NC(=O)OC5SC6=NN=NN6C7=CC=CC=C7
Structure:
CAS RN: 68955-22-6
CAS Name: 1-butanol; 2-propanol; titanium
OPENEYE Name: butan-1-ol; propan-2-ol; titanium
IUPAC Name: butan-1-ol; propan-2-ol; titanium
SYSTEMATIC NAME: butan-1-ol; propan-2-ol; titanium
MOLECULAR FORMULA: C7H18O2Ti
MOLECULAR WEIGHT: 182.08362
SMILES: CCCCO.CC(C)O.[Ti]
Structure:
CAS RN: 68936-08-3
CAS Name: 4-(2-methoxy-5-methylphenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carboximidamide hydrochloride
OPENEYE Name: 4-(2-methoxy-5-methyl-phenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carboxamidine hydrochloride
IUPAC Name: 4-[(2-methoxy-5-methylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carboximidamide hydrochloride
SYSTEMATIC NAME: 4-[(2-methoxy-5-methyl-phenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carboximidamide hydrochloride
MOLECULAR FORMULA: C13H17ClN6O2
MOLECULAR WEIGHT: 324.76608
SMILES: CC1=CC(=C(C=C1)OC)N=NC2C(=NN(C2=O)C(=N)N)C.Cl
Structure:
CAS RN: 68931-51-1
CAS Name: 2-methoxy-2-prop-2-ynoxypropane
OPENEYE Name: 2-methoxy-2-prop-2-ynoxy-propane
IUPAC Name: 2-methoxy-2-prop-2-ynoxypropane
SYSTEMATIC NAME: 2-methoxy-2-prop-2-ynoxy-propane
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CC(C)(OC)OCC#C
Structure:
CAS RN: 68860-51-5
CAS Name: 3-(dimethoxymethyl)-1,1-dimethoxypentane
OPENEYE Name: 3-(dimethoxymethyl)-1,1-dimethoxy-pentane
IUPAC Name: 3-(dimethoxymethyl)-1,1-dimethoxypentane
SYSTEMATIC NAME: 3-(dimethoxymethyl)-1,1-dimethoxy-pentane
MOLECULAR FORMULA: C10H22O4
MOLECULAR WEIGHT: 206.27928
SMILES: CCC(CC(OC)OC)C(OC)OC
Structure:
CAS RN: 68860-50-4
CAS Name: 1,1,5,5-tetramethoxy-2-methylpentane
OPENEYE Name: 1,1,5,5-tetramethoxy-2-methyl-pentane
IUPAC Name: 1,1,5,5-tetramethoxy-2-methylpentane
SYSTEMATIC NAME: 1,1,5,5-tetramethoxy-2-methyl-pentane
MOLECULAR FORMULA: C10H22O4
MOLECULAR WEIGHT: 206.27928
SMILES: CC(CCC(OC)OC)C(OC)OC
Structure:
CAS RN: 68857-84-1
CAS Name: 2,3,3,5-tetramethyl-1-propan-2-yl-1,2-dihydroindene
OPENEYE Name: 3-isopropyl-1,1,2,6-tetramethyl-indane
IUPAC Name: 2,3,3,5-tetramethyl-1-propan-2-yl-1,2-dihydroindene
SYSTEMATIC NAME: 2,3,3,5-tetramethyl-1-propan-2-yl-1,2-dihydroindene
MOLECULAR FORMULA: C16H24
MOLECULAR WEIGHT: 216.36176
SMILES: CC1C(C2=C(C1(C)C)C=C(C=C2)C)C(C)C
Structure:
CAS RN: 68857-83-0
CAS Name: 1-(1-chloro-2-methylpropyl)-4-methylbenzene
OPENEYE Name: 1-(1-chloro-2-methyl-propyl)-4-methyl-benzene
IUPAC Name: 1-(1-chloro-2-methylpropyl)-4-methylbenzene
SYSTEMATIC NAME: 1-(1-chloranyl-2-methyl-propyl)-4-methyl-benzene
MOLECULAR FORMULA: C11H15Cl
MOLECULAR WEIGHT: 182.6898
SMILES: CC1=CC=C(C=C1)C(C(C)C)Cl
Structure:
CAS RN: 68812-93-1
CAS Name: 3-hydroxydecanedioic acid
OPENEYE Name: 3-hydroxydecanedioic acid
IUPAC Name: 3-hydroxydecanedioic acid
SYSTEMATIC NAME: 3-oxidanyldecanedioic acid
MOLECULAR FORMULA: C10H18O5
MOLECULAR WEIGHT: 218.24692
SMILES: C(CCCC(=O)O)CCC(CC(=O)O)O
Structure:
CAS RN: 68758-97-4
CAS Name: 2-[dimethyl-[2-(1-oxooctadecoxy)ethyl]ammonio]acetate
OPENEYE Name: 2-[dimethyl(2-octadecanoyloxyethyl)ammonio]acetate
IUPAC Name: 2-[dimethyl(2-octadecanoyloxyethyl)azaniumyl]acetate
SYSTEMATIC NAME: 2-[dimethyl(2-octadecanoyloxyethyl)azaniumyl]ethanoate
MOLECULAR FORMULA: C24H47NO4
MOLECULAR WEIGHT: 413.63428
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CC(=O)[O-]
Structure:
CAS RN: 68743-66-8
CAS Name: 1-nitroso-2-(3-pyridinyl)-2-pyrrolidinol
OPENEYE Name: 1-nitroso-2-(3-pyridyl)pyrrolidin-2-ol
IUPAC Name: 1-nitroso-2-pyridin-3-ylpyrrolidin-2-ol
SYSTEMATIC NAME: 1-nitroso-2-pyridin-3-yl-pyrrolidin-2-ol
MOLECULAR FORMULA: C9H11N3O2
MOLECULAR WEIGHT: 193.20254
SMILES: C1CC(N(C1)N=O)(C2=CN=CC=C2)O
Structure:
CAS RN: 68740-78-3
CAS Name: 4-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-N1-ethylbenzene-1,2-diamine
OPENEYE Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N1-ethyl-benzene-1,2-diamine
IUPAC Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-1-N-ethylbenzene-1,2-diamine
SYSTEMATIC NAME: 4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-N1-ethyl-benzene-1,2-diamine
MOLECULAR FORMULA: C26H32N4
MOLECULAR WEIGHT: 400.55908
SMILES: CCNC1=C(C=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)N
Structure:
CAS RN: 68740-30-7
CAS Name: 4-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-N1-methylbenzene-1,2-diamine
OPENEYE Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N1-methyl-benzene-1,2-diamine
IUPAC Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-1-N-methylbenzene-1,2-diamine
SYSTEMATIC NAME: 4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-N1-methyl-benzene-1,2-diamine
MOLECULAR FORMULA: C25H30N4
MOLECULAR WEIGHT: 386.5325
SMILES: CNC1=C(C=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)N
Structure:
CAS RN: 68740-16-9
CAS Name: 4-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-N-ethyl-2-nitroaniline
OPENEYE Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-ethyl-2-nitro-aniline
IUPAC Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-ethyl-2-nitroaniline
SYSTEMATIC NAME: 4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-N-ethyl-2-nitro-aniline
MOLECULAR FORMULA: C26H30N4O2
MOLECULAR WEIGHT: 430.542
SMILES: CCNC1=C(C=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]
Structure:
CAS RN: 68740-15-8
CAS Name: 4-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-N-methyl-2-nitroaniline
OPENEYE Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-2-nitro-aniline
IUPAC Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-2-nitroaniline
SYSTEMATIC NAME: 4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-N-methyl-2-nitro-aniline
MOLECULAR FORMULA: C25H28N4O2
MOLECULAR WEIGHT: 416.51542
SMILES: CNC1=C(C=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]
Structure:
CAS RN: 68678-76-2
CAS Name: 2,3-dimethyl-1,4-bis(1-phenylethyl)benzene
OPENEYE Name: 2,3-dimethyl-1,4-bis(1-phenylethyl)benzene
IUPAC Name: 2,3-dimethyl-1,4-bis(1-phenylethyl)benzene
SYSTEMATIC NAME: 2,3-dimethyl-1,4-bis(1-phenylethyl)benzene
MOLECULAR FORMULA: C24H26
MOLECULAR WEIGHT: 314.46324
SMILES: CC1=C(C=CC(=C1C)C(C)C2=CC=CC=C2)C(C)C3=CC=CC=C3
Structure:
CAS RN: 68599-63-3
CAS Name: 3,5-diamino-4-chlorobenzoic acid dodecyl ester
OPENEYE Name: dodecyl 3,5-diamino-4-chloro-benzoate
IUPAC Name: dodecyl 3,5-diamino-4-chlorobenzoate
SYSTEMATIC NAME: dodecyl 3,5-bis(azanyl)-4-chloranyl-benzoate
MOLECULAR FORMULA: C19H31ClN2O2
MOLECULAR WEIGHT: 354.91464
SMILES: CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)N)Cl)N
Structure:
CAS RN: 68592-12-1
CAS Name: 2-[(4-chloro-3-chlorosulfonylphenyl)-oxomethyl]benzoic acid
OPENEYE Name: 2-(4-chloro-3-chlorosulfonyl-benzoyl)benzoic acid
IUPAC Name: 2-(4-chloro-3-chlorosulfonylbenzoyl)benzoic acid
SYSTEMATIC NAME: 2-(4-chloranyl-3-chloranylsulfonyl-phenyl)carbonylbenzoic acid
MOLECULAR FORMULA: C14H8Cl2O5S
MOLECULAR WEIGHT: 359.18132
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)Cl)C(=O)O
Structure:
CAS RN: 68592-11-0
CAS Name: 2-chloro-5-(1-chloro-3-oxo-1-isobenzofuranyl)benzenesulfonyl chloride
OPENEYE Name: 2-chloro-5-(1-chloro-3-oxo-isobenzofuran-1-yl)benzenesulfonyl chloride
IUPAC Name: 2-chloro-5-(1-chloro-3-oxo-2-benzofuran-1-yl)benzenesulfonyl chloride
SYSTEMATIC NAME: 2-chloranyl-5-(1-chloranyl-3-oxidanylidene-2-benzofuran-1-yl)benzenesulfonyl chloride
MOLECULAR FORMULA: C14H7Cl3O4S
MOLECULAR WEIGHT: 377.62698
SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)Cl)Cl
Structure:
CAS RN: 68588-50-1
CAS Name: 4-chloro-3,5-bis[(4,4-dimethyl-1,3-dioxopentyl)amino]benzoic acid dodecyl ester
OPENEYE Name: dodecyl 4-chloro-3,5-bis[(4,4-dimethyl-3-oxo-pentanoyl)amino]benzoate
IUPAC Name: dodecyl 4-chloro-3,5-bis[(4,4-dimethyl-3-oxopentanoyl)amino]benzoate
SYSTEMATIC NAME: dodecyl 4-chloranyl-3,5-bis[(4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]benzoate
MOLECULAR FORMULA: C33H51ClN2O6
MOLECULAR WEIGHT: 607.22084
SMILES: CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)NC(=O)CC(=O)C(C)(C)C)Cl)NC(=O)CC(=O)C(C)(C)C
Structure:
CAS RN: 68548-50-5
CAS Name: 4-(4-methoxyphenoxy)benzoyl chloride
OPENEYE Name: 4-(4-methoxyphenoxy)benzoyl chloride
IUPAC Name: 4-(4-methoxyphenoxy)benzoyl chloride
SYSTEMATIC NAME: 4-(4-methoxyphenoxy)benzoyl chloride
MOLECULAR FORMULA: C14H11ClO3
MOLECULAR WEIGHT: 262.68834
SMILES: COC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)Cl
Structure:
CAS RN: 68519-97-1
CAS Name: 1,4,6-tribromopyrene
OPENEYE Name: 1,4,6-tribromopyrene
IUPAC Name: 1,4,6-tribromopyrene
SYSTEMATIC NAME: 1,4,6-tris(bromanyl)pyrene
MOLECULAR FORMULA: C16H7Br3
MOLECULAR WEIGHT: 438.93878
SMILES: C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3Br)Br)Br
Structure:
CAS RN: 68505-93-1
CAS Name: N-butyl-5-nitro-2-prop-2-ynoxybenzamide
OPENEYE Name: N-butyl-5-nitro-2-prop-2-ynoxy-benzamide
IUPAC Name: N-butyl-5-nitro-2-prop-2-ynoxybenzamide
SYSTEMATIC NAME: N-butyl-5-nitro-2-prop-2-ynoxy-benzamide
MOLECULAR FORMULA: C14H16N2O4
MOLECULAR WEIGHT: 276.28784
SMILES: CCCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCC#C
Structure:
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