CAS RN: 90925-43-2
CAS Name: (4-propoxyphenyl)methanol
OPENEYE Name: (4-propoxyphenyl)methanol
IUPAC Name: (4-propoxyphenyl)methanol
SYSTEMATIC NAME: (4-propoxyphenyl)methanol
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: CCCOC1=CC=C(C=C1)CO
Structure:
CAS RN: 5827-78-1
CAS Name: N-methyl-N-phenylpropanamide
OPENEYE Name: N-methyl-N-phenyl-propanamide
IUPAC Name: N-methyl-N-phenylpropanamide
SYSTEMATIC NAME: N-methyl-N-phenyl-propanamide
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CCC(=O)N(C)C1=CC=CC=C1
Structure:
CAS RN: 7497-61-2
CAS Name: 3-hydroxy-3-phenylpropanoic acid methyl ester
OPENEYE Name: methyl 3-hydroxy-3-phenyl-propanoate
IUPAC Name: methyl 3-hydroxy-3-phenylpropanoate
SYSTEMATIC NAME: methyl 3-oxidanyl-3-phenyl-propanoate
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: COC(=O)CC(C1=CC=CC=C1)O
Structure:
CAS RN: 25800-30-0
CAS Name: 4-chlorobenzoic acid propyl ester
OPENEYE Name: propyl 4-chlorobenzoate
IUPAC Name: propyl 4-chlorobenzoate
SYSTEMATIC NAME: propyl 4-chloranylbenzoate
MOLECULAR FORMULA: C10H11ClO2
MOLECULAR WEIGHT: 198.64614
SMILES: CCCOC(=O)C1=CC=C(C=C1)Cl
Structure:
CAS RN: 1077-79-8
CAS Name: 2-acetylbenzoic acid methyl ester
OPENEYE Name: methyl 2-acetylbenzoate
IUPAC Name: methyl 2-acetylbenzoate
SYSTEMATIC NAME: methyl 2-ethanoylbenzoate
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: CC(=O)C1=CC=CC=C1C(=O)OC
Structure:
CAS RN: 91525-87-0
CAS Name: nonane-2,4-diol
OPENEYE Name: nonane-2,4-diol
IUPAC Name: nonane-2,4-diol
SYSTEMATIC NAME: nonane-2,4-diol
MOLECULAR FORMULA: C9H20O2
MOLECULAR WEIGHT: 160.2539
SMILES: CCCCCC(CC(C)O)O
Structure:
CAS RN: 4740-88-9
CAS Name: 2-pentyl-1,3-dioxan-5-ol
OPENEYE Name: 2-pentyl-1,3-dioxan-5-ol
IUPAC Name: 2-pentyl-1,3-dioxan-5-ol
SYSTEMATIC NAME: 2-pentyl-1,3-dioxan-5-ol
MOLECULAR FORMULA: C9H18O3
MOLECULAR WEIGHT: 174.23742
SMILES: CCCCCC1OCC(CO1)O
Structure:
CAS RN: 6413-43-0
CAS Name: 2,5-diethyl-2-methyl-5-nitro-1,3-dioxane
OPENEYE Name: 2,5-diethyl-2-methyl-5-nitro-1,3-dioxane
IUPAC Name: 2,5-diethyl-2-methyl-5-nitro-1,3-dioxane
SYSTEMATIC NAME: 2,5-diethyl-2-methyl-5-nitro-1,3-dioxane
MOLECULAR FORMULA: C9H17NO4
MOLECULAR WEIGHT: 203.23558
SMILES: CCC1(OCC(CO1)(CC)[N+](=O)[O-])C
Structure:
CAS RN: 90293-83-7
CAS Name: 2-(2-methyl-1,3-dioxan-2-yl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(2-methyl-1,3-dioxan-2-yl)acetate
IUPAC Name: ethyl 2-(2-methyl-1,3-dioxan-2-yl)acetate
SYSTEMATIC NAME: ethyl 2-(2-methyl-1,3-dioxan-2-yl)ethanoate
MOLECULAR FORMULA: C9H16O4
MOLECULAR WEIGHT: 188.22094
SMILES: CCOC(=O)CC1(OCCCO1)C
Structure:
CAS RN: 5663-15-0
CAS Name: 5-methyl-5-nitro-2-propyl-1,3-dioxane
OPENEYE Name: 5-methyl-5-nitro-2-propyl-1,3-dioxane
IUPAC Name: 5-methyl-5-nitro-2-propyl-1,3-dioxane
SYSTEMATIC NAME: 5-methyl-5-nitro-2-propyl-1,3-dioxane
MOLECULAR FORMULA: C8H15NO4
MOLECULAR WEIGHT: 189.209
SMILES: CCCC1OCC(CO1)(C)[N+](=O)[O-]
Structure:
CAS RN: 6413-40-7
CAS Name: 2-ethyl-2,5-dimethyl-5-nitro-1,3-dioxane
OPENEYE Name: 2-ethyl-2,5-dimethyl-5-nitro-1,3-dioxane
IUPAC Name: 2-ethyl-2,5-dimethyl-5-nitro-1,3-dioxane
SYSTEMATIC NAME: 2-ethyl-2,5-dimethyl-5-nitro-1,3-dioxane
MOLECULAR FORMULA: C8H15NO4
MOLECULAR WEIGHT: 189.209
SMILES: CCC1(OCC(CO1)(C)[N+](=O)[O-])C
Structure:
CAS RN: 4379-23-1
CAS Name: (2-propyl-1,3-dioxolan-4-yl)methanol
OPENEYE Name: (2-propyl-1,3-dioxolan-4-yl)methanol
IUPAC Name: (2-propyl-1,3-dioxolan-4-yl)methanol
SYSTEMATIC NAME: (2-propyl-1,3-dioxolan-4-yl)methanol
MOLECULAR FORMULA: C7H14O3
MOLECULAR WEIGHT: 146.18426
SMILES: CCCC1OCC(O1)CO
Structure:
CAS RN: 56405-23-3
CAS Name: 2-bromoacetic acid 2-oxolanylmethyl ester
OPENEYE Name: tetrahydrofuran-2-ylmethyl 2-bromoacetate
IUPAC Name: oxolan-2-ylmethyl 2-bromoacetate
SYSTEMATIC NAME: oxolan-2-ylmethyl 2-bromanylethanoate
MOLECULAR FORMULA: C7H11BrO3
MOLECULAR WEIGHT: 223.06444
SMILES: C1CC(OC1)COC(=O)CBr
Structure:
CAS RN: 3840-05-9
CAS Name: benzenesulfonic acid [4-(benzenesulfonyloxy)phenyl] ester
OPENEYE Name: [4-(benzenesulfonyloxy)phenyl] benzenesulfonate
IUPAC Name: [4-(benzenesulfonyloxy)phenyl] benzenesulfonate
SYSTEMATIC NAME: [4-(phenylsulfonyloxy)phenyl] benzenesulfonate
MOLECULAR FORMULA: C18H14O6S2
MOLECULAR WEIGHT: 390.43016
SMILES: C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3
Structure:
CAS RN: 15161-04-3
CAS Name: benzenesulfonic acid 1-naphthalenyl ester
OPENEYE Name: 1-naphthyl benzenesulfonate
IUPAC Name: naphthalen-1-yl benzenesulfonate
SYSTEMATIC NAME: naphthalen-1-yl benzenesulfonate
MOLECULAR FORMULA: C16H12O3S
MOLECULAR WEIGHT: 284.32968
SMILES: C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 15161-07-6
CAS Name: benzenesulfonic acid 2-naphthalenyl ester
OPENEYE Name: 2-naphthyl benzenesulfonate
IUPAC Name: naphthalen-2-yl benzenesulfonate
SYSTEMATIC NAME: naphthalen-2-yl benzenesulfonate
MOLECULAR FORMULA: C16H12O3S
MOLECULAR WEIGHT: 284.32968
SMILES: C1=CC=C(C=C1)S(=O)(=O)OC2=CC3=CC=CC=C3C=C2
Structure:
CAS RN: 57070-99-2
CAS Name: 1-chloro-4-[(4-chlorophenyl)-ethoxymethyl]benzene
OPENEYE Name: 1-chloro-4-[(4-chlorophenyl)-ethoxy-methyl]benzene
IUPAC Name: 1-chloro-4-[(4-chlorophenyl)-ethoxymethyl]benzene
SYSTEMATIC NAME: 1-chloranyl-4-[(4-chlorophenyl)-ethoxy-methyl]benzene
MOLECULAR FORMULA: C15H14Cl2O
MOLECULAR WEIGHT: 281.17706
SMILES: CCOC(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 3955-72-4
CAS Name: 4-methylbenzenesulfonic acid (3-methylphenyl) ester
OPENEYE Name: m-tolyl 4-methylbenzenesulfonate
IUPAC Name: (3-methylphenyl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: (3-methylphenyl) 4-methylbenzenesulfonate
MOLECULAR FORMULA: C14H14O3S
MOLECULAR WEIGHT: 262.32416
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C
Structure:
CAS RN: 55702-41-5
CAS Name: 1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene
OPENEYE Name: 1-chloro-4-[(4-chlorophenyl)-methoxy-methyl]benzene
IUPAC Name: 1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene
SYSTEMATIC NAME: 1-chloranyl-4-[(4-chlorophenyl)-methoxy-methyl]benzene
MOLECULAR FORMULA: C14H12Cl2O
MOLECULAR WEIGHT: 267.15048
SMILES: COC(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 56424-77-2
CAS Name: 2-(2-ethoxy-2-oxoethoxy)benzoic acid ethyl ester
OPENEYE Name: ethyl 2-(2-ethoxy-2-oxo-ethoxy)benzoate
IUPAC Name: ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate
SYSTEMATIC NAME: ethyl 2-(2-ethoxy-2-oxidanylidene-ethoxy)benzoate
MOLECULAR FORMULA: C13H16O5
MOLECULAR WEIGHT: 252.26314
SMILES: CCOC(=O)COC1=CC=CC=C1C(=O)OCC
Structure:
CAS RN: 77129-70-5
CAS Name: 1,3-benzodioxol-5-yl(1-piperidinyl)methanethione
OPENEYE Name: 1,3-benzodioxol-5-yl(1-piperidyl)methanethione
IUPAC Name: 1,3-benzodioxol-5-yl(piperidin-1-yl)methanethione
SYSTEMATIC NAME: 1,3-benzodioxol-5-yl(piperidin-1-yl)methanethione
MOLECULAR FORMULA: C13H15NO2S
MOLECULAR WEIGHT: 249.3287
SMILES: C1CCN(CC1)C(=S)C2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 41480-07-3
CAS Name: benzenesulfonic acid (3-methylphenyl) ester
OPENEYE Name: m-tolyl benzenesulfonate
IUPAC Name: (3-methylphenyl) benzenesulfonate
SYSTEMATIC NAME: (3-methylphenyl) benzenesulfonate
MOLECULAR FORMULA: C13H12O3S
MOLECULAR WEIGHT: 248.29758
SMILES: CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 2224-88-6
CAS Name: 2-acetyloxybenzoic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-acetoxybenzoate
IUPAC Name: propan-2-yl 2-acetyloxybenzoate
SYSTEMATIC NAME: propan-2-yl 2-acetyloxybenzoate
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: CC(C)OC(=O)C1=CC=CC=C1OC(=O)C
Structure:
CAS RN: 7501-62-4
CAS Name: 1,3-benzodioxol-5-yl(4-morpholinyl)methanethione
OPENEYE Name: 1,3-benzodioxol-5-yl(morpholino)methanethione
IUPAC Name: 1,3-benzodioxol-5-yl(morpholin-4-yl)methanethione
SYSTEMATIC NAME: 1,3-benzodioxol-5-yl(morpholin-4-yl)methanethione
MOLECULAR FORMULA: C12H13NO3S
MOLECULAR WEIGHT: 251.30152
SMILES: C1COCCN1C(=S)C2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 6596-69-6
CAS Name: N'-phenylbenzenesulfonohydrazide
OPENEYE Name: N'-phenylbenzenesulfonohydrazide
IUPAC Name: N'-phenylbenzenesulfonohydrazide
SYSTEMATIC NAME: N'-phenylbenzenesulfonohydrazide
MOLECULAR FORMULA: C12H12N2O2S
MOLECULAR WEIGHT: 248.30088
SMILES: C1=CC=C(C=C1)NNS(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 3313-84-6
CAS Name: benzenesulfonic acid (4-nitrophenyl) ester
OPENEYE Name: (4-nitrophenyl) benzenesulfonate
IUPAC Name: (4-nitrophenyl) benzenesulfonate
SYSTEMATIC NAME: (4-nitrophenyl) benzenesulfonate
MOLECULAR FORMULA: C12H9NO5S
MOLECULAR WEIGHT: 279.26856
SMILES: C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 91493-71-9
CAS Name: benzenesulfonic acid (2-nitrophenyl) ester
OPENEYE Name: (2-nitrophenyl) benzenesulfonate
IUPAC Name: (2-nitrophenyl) benzenesulfonate
SYSTEMATIC NAME: (2-nitrophenyl) benzenesulfonate
MOLECULAR FORMULA: C12H9NO5S
MOLECULAR WEIGHT: 279.26856
SMILES: C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 41076-06-6
CAS Name: benzenesulfonic acid (3-nitrophenyl) ester
OPENEYE Name: (3-nitrophenyl) benzenesulfonate
IUPAC Name: (3-nitrophenyl) benzenesulfonate
SYSTEMATIC NAME: (3-nitrophenyl) benzenesulfonate
MOLECULAR FORMULA: C12H9NO5S
MOLECULAR WEIGHT: 279.26856
SMILES: C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)[N+](=O)[O-]
Structure:
CAS RN: 20443-84-9
CAS Name: benzenesulfonic acid (4-bromophenyl) ester
OPENEYE Name: (4-bromophenyl) benzenesulfonate
IUPAC Name: (4-bromophenyl) benzenesulfonate
SYSTEMATIC NAME: (4-bromophenyl) benzenesulfonate
MOLECULAR FORMULA: C12H9BrO3S
MOLECULAR WEIGHT: 313.16706
SMILES: C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Br
Structure:
CAS RN: 970-88-7
CAS Name: benzenesulfonic acid (2,4-dinitrophenyl) ester
OPENEYE Name: (2,4-dinitrophenyl) benzenesulfonate
IUPAC Name: (2,4-dinitrophenyl) benzenesulfonate
SYSTEMATIC NAME: (2,4-dinitrophenyl) benzenesulfonate
MOLECULAR FORMULA: C12H8N2O7S
MOLECULAR WEIGHT: 324.26612
SMILES: C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
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