CAS RN: 1027513-02-5
CAS Name: 2-fluoro-5-isothiocyanatobenzoic acid
OPENEYE Name: 2-fluoro-5-isothiocyanato-benzoic acid
IUPAC Name: 2-fluoro-5-isothiocyanatobenzoic acid
SYSTEMATIC NAME: 2-fluoranyl-5-isothiocyanato-benzoic acid
MOLECULAR FORMULA: C8H4FNO2S
MOLECULAR WEIGHT: 197.186263
SMILES: C1=CC(=C(C=C1N=C=S)C(=O)O)F
Structure:
CAS RN: 1027512-94-2
CAS Name: 3-fluoro-4-isothiocyanatobenzoic acid
OPENEYE Name: 3-fluoro-4-isothiocyanato-benzoic acid
IUPAC Name: 3-fluoro-4-isothiocyanatobenzoic acid
SYSTEMATIC NAME: 3-fluoranyl-4-isothiocyanato-benzoic acid
MOLECULAR FORMULA: C8H4FNO2S
MOLECULAR WEIGHT: 197.186263
SMILES: C1=CC(=C(C=C1C(=O)O)F)N=C=S
Structure:
CAS RN: 1027512-55-5
CAS Name: 2-amino-3,5-dibromo-6-chlorobenzonitrile
OPENEYE Name: 2-amino-3,5-dibromo-6-chloro-benzonitrile
IUPAC Name: 2-amino-3,5-dibromo-6-chlorobenzonitrile
SYSTEMATIC NAME: 2-azanyl-3,5-bis(bromanyl)-6-chloranyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H3Br2ClN2
MOLECULAR WEIGHT: 310.37312
SMILES: C1=C(C(=C(C(=C1Br)Cl)C#N)N)Br
Structure:
CAS RN: 1027512-49-7
CAS Name: 2-chloro-5-isothiocyanatobenzoic acid
OPENEYE Name: 2-chloro-5-isothiocyanato-benzoic acid
IUPAC Name: 2-chloro-5-isothiocyanatobenzoic acid
SYSTEMATIC NAME: 2-chloranyl-5-isothiocyanato-benzoic acid
MOLECULAR FORMULA: C8H4ClNO2S
MOLECULAR WEIGHT: 213.64086
SMILES: C1=CC(=C(C=C1N=C=S)C(=O)O)Cl
Structure:
CAS RN: 1027512-44-2
CAS Name: 3-chloro-4-isothiocyanatobenzoic acid
OPENEYE Name: 3-chloro-4-isothiocyanato-benzoic acid
IUPAC Name: 3-chloro-4-isothiocyanatobenzoic acid
SYSTEMATIC NAME: 3-chloranyl-4-isothiocyanato-benzoic acid
MOLECULAR FORMULA: C8H4ClNO2S
MOLECULAR WEIGHT: 213.64086
SMILES: C1=CC(=C(C=C1C(=O)O)Cl)N=C=S
Structure:
CAS RN: 862902-36-1
CAS Name: 1-bromo-2-isothiocyanato-4-(trifluoromethyl)benzene
OPENEYE Name: 1-bromo-2-isothiocyanato-4-(trifluoromethyl)benzene
IUPAC Name: 1-bromo-2-isothiocyanato-4-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-bromanyl-2-isothiocyanato-4-(trifluoromethyl)benzene
MOLECULAR FORMULA: C8H3BrF3NS
MOLECULAR WEIGHT: 282.08033
SMILES: C1=CC(=C(C=C1C(F)(F)F)N=C=S)Br
Structure:
CAS RN: 1027512-16-8
CAS Name: 1-bromo-2-fluoro-4-isothiocyanato-5-methylbenzene
OPENEYE Name: 1-bromo-2-fluoro-4-isothiocyanato-5-methyl-benzene
IUPAC Name: 1-bromo-2-fluoro-4-isothiocyanato-5-methylbenzene
SYSTEMATIC NAME: 1-bromanyl-2-fluoranyl-4-isothiocyanato-5-methyl-benzene
MOLECULAR FORMULA: C8H5BrFNS
MOLECULAR WEIGHT: 246.099403
SMILES: CC1=CC(=C(C=C1N=C=S)F)Br
Structure:
CAS RN: 1027512-10-2
CAS Name: 1-bromo-5-fluoro-4-isothiocyanato-2-methylbenzene
OPENEYE Name: 1-bromo-5-fluoro-4-isothiocyanato-2-methyl-benzene
IUPAC Name: 1-bromo-5-fluoro-4-isothiocyanato-2-methylbenzene
SYSTEMATIC NAME: 1-bromanyl-5-fluoranyl-4-isothiocyanato-2-methyl-benzene
MOLECULAR FORMULA: C8H5BrFNS
MOLECULAR WEIGHT: 246.099403
SMILES: CC1=CC(=C(C=C1Br)F)N=C=S
Structure:
CAS RN: 617-79-8
CAS Name: 2-ethylbutylammonium
OPENEYE Name: 2-ethylbutylammonium
IUPAC Name: 2-ethylbutylazanium
SYSTEMATIC NAME: 2-ethylbutylazanium
MOLECULAR FORMULA: C6H16N+
MOLECULAR WEIGHT: 102.19794
SMILES: CCC(CC)C[NH3+]
Structure:
CAS RN: 73220-03-8
CAS Name: 3-bromo-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2,6-dimethoxybenzamide
OPENEYE Name: 3-bromo-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,6-dimethoxy-benzamide
IUPAC Name: 3-bromo-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,6-dimethoxybenzamide
SYSTEMATIC NAME: 3-bromanyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,6-dimethoxy-benzamide
MOLECULAR FORMULA: C16H24BrN2O3+
MOLECULAR WEIGHT: 372.27736
SMILES: CC[NH+]1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2OC)Br)OC
Structure:
CAS RN: 127075-47-2
CAS Name: [(2S)-2-pyrrolidin-1-iumyl]methanesulfonate
OPENEYE Name: [(2S)-pyrrolidin-1-ium-2-yl]methanesulfonate
IUPAC Name: [(2S)-pyrrolidin-1-ium-2-yl]methanesulfonate
SYSTEMATIC NAME: [(2S)-pyrrolidin-1-ium-2-yl]methanesulfonate
MOLECULAR FORMULA: C5H11NO3S
MOLECULAR WEIGHT: 165.21074
SMILES: C1C[C@H]([NH2+]C1)CS(=O)(=O)[O-]
Structure:
CAS RN: 34643-46-4
CAS Name: (2,4-dichlorophenoxy)-ethoxy-(propylthio)-sulfanylidenephosphorane
OPENEYE Name: (2,4-dichlorophenoxy)-ethoxy-propylsulfanyl-thioxo-$l^{5}-phosphane
IUPAC Name: (2,4-dichlorophenoxy)-ethoxy-propylsulfanyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: [2,4-bis(chloranyl)phenoxy]-ethoxy-propylsulfanyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C11H15Cl2O2PS2
MOLECULAR WEIGHT: 345.245361
SMILES: CCCS[P@](=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl
Structure:
CAS RN: 36861-47-9
CAS Name: (1S,2Z,4R)-4,7,7-trimethyl-2-[(4-methylphenyl)methylidene]-3-bicyclo[2.2.1]heptanone
OPENEYE Name: (1R,3Z,4S)-1,7,7-trimethyl-3-(p-tolylmethylene)norbornan-2-one
IUPAC Name: (1S,2Z,4R)-4,7,7-trimethyl-2-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: (1S,2Z,4R)-4,7,7-trimethyl-2-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C18H22O
MOLECULAR WEIGHT: 254.36668
SMILES: CC1=CC=C(C=C1)/C=C\2/[C@H]3CC[C@@](C2=O)(C3(C)C)C
Structure:
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