CAS RN: 20764-61-8
CAS Name: acetic acid (2,3,4,5-tetraacetyloxy-2-oxanyl)methyl ester
OPENEYE Name: (2,3,4,5-tetraacetoxytetrahydropyran-2-yl)methyl acetate
IUPAC Name: (2,3,4,5-tetraacetyloxyoxan-2-yl)methyl acetate
SYSTEMATIC NAME: (2,3,4,5-tetraacetyloxyoxan-2-yl)methyl ethanoate
MOLECULAR FORMULA: C16H22O11
MOLECULAR WEIGHT: 390.33928
SMILES: CC(=O)OCC1(C(C(C(CO1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 55221-54-0
CAS Name: acetic acid (3,4,5-triacetyloxy-2-hydroxy-2-oxanyl)methyl ester
OPENEYE Name: (3,4,5-triacetoxy-2-hydroxy-tetrahydropyran-2-yl)methyl acetate
IUPAC Name: (3,4,5-triacetyloxy-2-hydroxyoxan-2-yl)methyl acetate
SYSTEMATIC NAME: (3,4,5-triacetyloxy-2-oxidanyl-oxan-2-yl)methyl ethanoate
MOLECULAR FORMULA: C14H20O10
MOLECULAR WEIGHT: 348.3026
SMILES: CC(=O)OCC1(C(C(C(CO1)OC(=O)C)OC(=O)C)OC(=O)C)O
Structure:
CAS RN: 7506-71-0
CAS Name: N-butyl-5-quinolinamine
OPENEYE Name: N-butylquinolin-5-amine
IUPAC Name: N-butylquinolin-5-amine
SYSTEMATIC NAME: N-butylquinolin-5-amine
MOLECULAR FORMULA: C13H16N2
MOLECULAR WEIGHT: 200.27954
SMILES: CCCCNC1=CC=CC2=C1C=CC=N2
Structure:
CAS RN: 20880-92-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H20O6
MOLECULAR WEIGHT: 260.2836
SMILES: CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CO)C
Structure:
CAS RN: 7506-68-5
CAS Name: 3,4,5-trimethoxy-6-(methoxymethyl)-2-oxanol
OPENEYE Name: 3,4,5-trimethoxy-6-(methoxymethyl)tetrahydropyran-2-ol
IUPAC Name: 3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
SYSTEMATIC NAME: 3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
MOLECULAR FORMULA: C10H20O6
MOLECULAR WEIGHT: 236.2622
SMILES: COCC1C(C(C(C(O1)O)OC)OC)OC
Structure:
CAS RN: 7506-67-4
CAS Name: N-methyl-5-quinolinamine
OPENEYE Name: N-methylquinolin-5-amine
IUPAC Name: N-methylquinolin-5-amine
SYSTEMATIC NAME: N-methylquinolin-5-amine
MOLECULAR FORMULA: C10H10N2
MOLECULAR WEIGHT: 158.1998
SMILES: CNC1=CC=CC2=C1C=CC=N2
Structure:
CAS RN: 641-58-7
CAS Name: 4-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methyl]-N,N-dimethylaniline
OPENEYE Name: 4-[[4-(dimethylamino)phenyl]-(p-tolyl)methyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C24H28N2
MOLECULAR WEIGHT: 344.49252
SMILES: CC1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
Structure:
CAS RN: 7595-72-4
CAS Name: 4-[(phenylmethylene)amino]aniline
OPENEYE Name: 4-(benzylideneamino)aniline
IUPAC Name: 4-(benzylideneamino)aniline
SYSTEMATIC NAME: 4-[(phenylmethylidene)amino]aniline
MOLECULAR FORMULA: C13H12N2
MOLECULAR WEIGHT: 196.24778
SMILES: C1=CC=C(C=C1)C=NC2=CC=C(C=C2)N
Structure:
CAS RN: 7511-37-7
CAS Name: 2-phenoxyacetic acid 3-hydroxypropyl ester
OPENEYE Name: 3-hydroxypropyl 2-phenoxyacetate
IUPAC Name: 3-hydroxypropyl 2-phenoxyacetate
SYSTEMATIC NAME: 3-oxidanylpropyl 2-phenoxyethanoate
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: C1=CC=C(C=C1)OCC(=O)OCCCO
Structure:
CAS RN: 58687-90-4
CAS Name: benzoic acid 1-phenylbutyl ester
OPENEYE Name: 1-phenylbutyl benzoate
IUPAC Name: 1-phenylbutyl benzoate
SYSTEMATIC NAME: 1-phenylbutyl benzoate
MOLECULAR FORMULA: C17H18O2
MOLECULAR WEIGHT: 254.32362
SMILES: CCCC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2
Structure:
CAS RN: 1889-72-1
CAS Name: 2-phenyl-1-(2,4,6-trimethylphenyl)ethanone
OPENEYE Name: 2-phenyl-1-(2,4,6-trimethylphenyl)ethanone
IUPAC Name: 2-phenyl-1-(2,4,6-trimethylphenyl)ethanone
SYSTEMATIC NAME: 2-phenyl-1-(2,4,6-trimethylphenyl)ethanone
MOLECULAR FORMULA: C17H18O
MOLECULAR WEIGHT: 238.32422
SMILES: CC1=CC(=C(C(=C1)C)C(=O)CC2=CC=CC=C2)C
Structure:
CAS RN: 70770-06-8
CAS Name: 3-phenylmethoxypropylbenzene
OPENEYE Name: 3-benzyloxypropylbenzene
IUPAC Name: 3-phenylmethoxypropylbenzene
SYSTEMATIC NAME: 3-phenylmethoxypropylbenzene
MOLECULAR FORMULA: C16H18O
MOLECULAR WEIGHT: 226.31352
SMILES: C1=CC=C(C=C1)CCCOCC2=CC=CC=C2
Structure:
CAS RN: 58687-92-6
CAS Name: benzoic acid 1-phenylpropyl ester
OPENEYE Name: 1-phenylpropyl benzoate
IUPAC Name: 1-phenylpropyl benzoate
SYSTEMATIC NAME: 1-phenylpropyl benzoate
MOLECULAR FORMULA: C16H16O2
MOLECULAR WEIGHT: 240.29704
SMILES: CCC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2
Structure:
CAS RN: 13363-25-2
CAS Name: 1,3-diphenyl-2-butanone
OPENEYE Name: 1,3-diphenylbutan-2-one
IUPAC Name: 1,3-diphenylbutan-2-one
SYSTEMATIC NAME: 1,3-diphenylbutan-2-one
MOLECULAR FORMULA: C16H16O
MOLECULAR WEIGHT: 224.29764
SMILES: CC(C1=CC=CC=C1)C(=O)CC2=CC=CC=C2
Structure:
CAS RN: 10225-39-5
CAS Name: 2-butyl-1-phenylbutane-1,3-dione
OPENEYE Name: 2-butyl-1-phenyl-butane-1,3-dione
IUPAC Name: 2-butyl-1-phenylbutane-1,3-dione
SYSTEMATIC NAME: 2-butyl-1-phenyl-butane-1,3-dione
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: CCCCC(C(=O)C)C(=O)C1=CC=CC=C1
Structure:
CAS RN: 5856-33-7
CAS Name: butanoic acid 2-naphthalenyl ester
OPENEYE Name: 2-naphthyl butanoate
IUPAC Name: naphthalen-2-yl butanoate
SYSTEMATIC NAME: naphthalen-2-yl butanoate
MOLECULAR FORMULA: C14H14O2
MOLECULAR WEIGHT: 214.25976
SMILES: CCCC(=O)OC1=CC2=CC=CC=C2C=C1
Structure:
CAS RN: 82721-04-8
CAS Name: 1-methoxy-4-(3-methylphenoxy)benzene
OPENEYE Name: 1-methoxy-4-(3-methylphenoxy)benzene
IUPAC Name: 1-methoxy-4-(3-methylphenoxy)benzene
SYSTEMATIC NAME: 1-methoxy-4-(3-methylphenoxy)benzene
MOLECULAR FORMULA: C14H14O2
MOLECULAR WEIGHT: 214.25976
SMILES: CC1=CC(=CC=C1)OC2=CC=C(C=C2)OC
Structure:
CAS RN: 7511-36-6
CAS Name: 2,4-dichloro-6-[2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]phenol
OPENEYE Name: 2,4-dichloro-6-[2-(3,5-dichloro-2-hydroxy-phenyl)vinyl]phenol
IUPAC Name: 2,4-dichloro-6-[2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]phenol
SYSTEMATIC NAME: 2-[2-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]ethenyl]-4,6-bis(chloranyl)phenol
MOLECULAR FORMULA: C14H8Cl4O2
MOLECULAR WEIGHT: 350.02412
SMILES: C1=C(C=C(C(=C1Cl)O)C=CC2=CC(=CC(=C2O)Cl)Cl)Cl
Structure:
CAS RN: 7511-35-5
CAS Name: 2,6-dichloro-4-[2,2,2-trichloro-1-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol
OPENEYE Name: 2,6-dichloro-4-[2,2,2-trichloro-1-(3,5-dichloro-4-hydroxy-phenyl)ethyl]phenol
IUPAC Name: 2,6-dichloro-4-[2,2,2-trichloro-1-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol
SYSTEMATIC NAME: 4-[1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-2,2,2-tris(chloranyl)ethyl]-2,6-bis(chloranyl)phenol
MOLECULAR FORMULA: C14H7Cl7O2
MOLECULAR WEIGHT: 455.37518
SMILES: C1=C(C=C(C(=C1Cl)O)Cl)C(C2=CC(=C(C(=C2)Cl)O)Cl)C(Cl)(Cl)Cl
Structure:
CAS RN: 7511-34-4
CAS Name: N-(3-chlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
OPENEYE Name: N-(3-chlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
IUPAC Name: N-(3-chlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-2-[2,3,4,5,6-pentakis(chloranyl)phenoxy]ethanamide
MOLECULAR FORMULA: C14H7Cl6NO2
MOLECULAR WEIGHT: 433.92888
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)COC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 7511-33-3
CAS Name: 4-chloro-2-nitro-6-[2,2,2-trichloro-1-(5-chloro-2-hydroxy-3-nitrophenyl)ethyl]phenol
OPENEYE Name: 4-chloro-2-nitro-6-[2,2,2-trichloro-1-(5-chloro-2-hydroxy-3-nitro-phenyl)ethyl]phenol
IUPAC Name: 4-chloro-2-nitro-6-[2,2,2-trichloro-1-(5-chloro-2-hydroxy-3-nitrophenyl)ethyl]phenol
SYSTEMATIC NAME: 4-chloranyl-2-nitro-6-[2,2,2-tris(chloranyl)-1-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)ethyl]phenol
MOLECULAR FORMULA: C14H7Cl5N2O6
MOLECULAR WEIGHT: 476.48018
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C(C2=CC(=CC(=C2O)[N+](=O)[O-])Cl)C(Cl)(Cl)Cl)Cl
Structure:
CAS RN: 7511-32-2
CAS Name: 4-nitrobenzoic acid cyclohexyl ester
OPENEYE Name: cyclohexyl 4-nitrobenzoate
IUPAC Name: cyclohexyl 4-nitrobenzoate
SYSTEMATIC NAME: cyclohexyl 4-nitrobenzoate
MOLECULAR FORMULA: C13H15NO4
MOLECULAR WEIGHT: 249.2625
SMILES: C1CCC(CC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 7511-31-1
CAS Name: 4-nitrobenzoic acid (4-chlorophenyl) ester
OPENEYE Name: (4-chlorophenyl) 4-nitrobenzoate
IUPAC Name: (4-chlorophenyl) 4-nitrobenzoate
SYSTEMATIC NAME: (4-chlorophenyl) 4-nitrobenzoate
MOLECULAR FORMULA: C13H8ClNO4
MOLECULAR WEIGHT: 277.65992
SMILES: C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)Cl)[N+](=O)[O-]
Structure:
CAS RN: 7622-07-3
CAS Name: 4-nitrobenzoic acid (2,4-dinitrophenyl) ester
OPENEYE Name: (2,4-dinitrophenyl) 4-nitrobenzoate
IUPAC Name: (2,4-dinitrophenyl) 4-nitrobenzoate
SYSTEMATIC NAME: (2,4-dinitrophenyl) 4-nitrobenzoate
MOLECULAR FORMULA: C13H7N3O8
MOLECULAR WEIGHT: 333.20998
SMILES: C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7071-01-4
CAS Name: 2,2-diethoxybutanedioic acid diethyl ester
OPENEYE Name: diethyl 2,2-diethoxybutanedioate
IUPAC Name: diethyl 2,2-diethoxybutanedioate
SYSTEMATIC NAME: diethyl 2,2-diethoxybutanedioate
MOLECULAR FORMULA: C12H22O6
MOLECULAR WEIGHT: 262.29948
SMILES: CCOC(=O)CC(C(=O)OCC)(OCC)OCC
Structure:
CAS RN: 4841-85-4
CAS Name: cyclohex-4-ene-1,2-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl cyclohex-4-ene-1,2-dicarboxylate
IUPAC Name: diethyl cyclohex-4-ene-1,2-dicarboxylate
SYSTEMATIC NAME: diethyl cyclohex-4-ene-1,2-dicarboxylate
MOLECULAR FORMULA: C12H18O4
MOLECULAR WEIGHT: 226.26892
SMILES: CCOC(=O)C1CC=CCC1C(=O)OCC
Structure:
CAS RN: 39581-96-9
CAS Name: 2-ethyl-1-phenylbutane-1,3-dione
OPENEYE Name: 2-ethyl-1-phenyl-butane-1,3-dione
IUPAC Name: 2-ethyl-1-phenylbutane-1,3-dione
SYSTEMATIC NAME: 2-ethyl-1-phenyl-butane-1,3-dione
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: CCC(C(=O)C)C(=O)C1=CC=CC=C1
Structure:
CAS RN: 4696-98-4
CAS Name: 4-nitrobenzoic acid 2-oxolanylmethyl ester
OPENEYE Name: tetrahydrofuran-2-ylmethyl 4-nitrobenzoate
IUPAC Name: oxolan-2-ylmethyl 4-nitrobenzoate
SYSTEMATIC NAME: oxolan-2-ylmethyl 4-nitrobenzoate
MOLECULAR FORMULA: C12H13NO5
MOLECULAR WEIGHT: 251.23532
SMILES: C1CC(OC1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 3636-29-1
CAS Name: 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfonylphenol
OPENEYE Name: 4-chloro-2-(5-chloro-2-hydroxy-phenyl)sulfonyl-phenol
IUPAC Name: 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfonylphenol
SYSTEMATIC NAME: 4-chloranyl-2-(5-chloranyl-2-oxidanyl-phenyl)sulfonyl-phenol
MOLECULAR FORMULA: C12H8Cl2O4S
MOLECULAR WEIGHT: 319.16052
SMILES: C1=CC(=C(C=C1Cl)S(=O)(=O)C2=C(C=CC(=C2)Cl)O)O
Structure:
CAS RN: 22409-91-2
CAS Name: 3-phenoxypropanoic acid ethyl ester
OPENEYE Name: ethyl 3-phenoxypropanoate
IUPAC Name: ethyl 3-phenoxypropanoate
SYSTEMATIC NAME: ethyl 3-phenoxypropanoate
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CCOC(=O)CCOC1=CC=CC=C1
Structure:
CAS RN: 55469-26-6
CAS Name: 1-methoxy-4-methyl-2-prop-2-enylbenzene
OPENEYE Name: 2-allyl-1-methoxy-4-methyl-benzene
IUPAC Name: 1-methoxy-4-methyl-2-prop-2-enylbenzene
SYSTEMATIC NAME: 1-methoxy-4-methyl-2-prop-2-enyl-benzene
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: CC1=CC(=C(C=C1)OC)CC=C
Structure:
CAS RN: 4799-68-2
CAS Name: 3-phenylmethoxy-1-propanol
OPENEYE Name: 3-benzyloxypropan-1-ol
IUPAC Name: 3-phenylmethoxypropan-1-ol
SYSTEMATIC NAME: 3-phenylmethoxypropan-1-ol
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: C1=CC=C(C=C1)COCCCO
Structure:
CAS RN: 75243-12-8
CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid
OPENEYE Name: 2-(2,4-dimethylphenyl)sulfanylacetic acid
IUPAC Name: 2-(2,4-dimethylphenyl)sulfanylacetic acid
SYSTEMATIC NAME: 2-(2,4-dimethylphenyl)sulfanylethanoic acid
MOLECULAR FORMULA: C10H12O2S
MOLECULAR WEIGHT: 196.26608
SMILES: CC1=CC(=C(C=C1)SCC(=O)O)C
Structure:
CAS RN: 5561-92-2
CAS Name: 1-(2-methoxyphenyl)-1-propanone
OPENEYE Name: 1-(2-methoxyphenyl)propan-1-one
IUPAC Name: 1-(2-methoxyphenyl)propan-1-one
SYSTEMATIC NAME: 1-(2-methoxyphenyl)propan-1-one
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CCC(=O)C1=CC=CC=C1OC
Structure:
CAS RN: 87271-76-9
CAS Name: 3-phenyl-1,4-dioxan-2-one
OPENEYE Name: 3-phenyl-1,4-dioxan-2-one
IUPAC Name: 3-phenyl-1,4-dioxan-2-one
SYSTEMATIC NAME: 3-phenyl-1,4-dioxan-2-one
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: C1COC(=O)C(O1)C2=CC=CC=C2
Structure:
CAS RN: 14144-41-3
CAS Name: 3-propoxypropanoic acid propyl ester
OPENEYE Name: propyl 3-propoxypropanoate
IUPAC Name: propyl 3-propoxypropanoate
SYSTEMATIC NAME: propyl 3-propoxypropanoate
MOLECULAR FORMULA: C9H18O3
MOLECULAR WEIGHT: 174.23742
SMILES: CCCOCCC(=O)OCCC
Structure:
CAS RN: 76402-21-6
CAS Name: 2-methyl-2-propenoic acid (3-ethoxy-3-oxopropyl) ester
OPENEYE Name: (3-ethoxy-3-oxo-propyl) 2-methylprop-2-enoate
IUPAC Name: (3-ethoxy-3-oxopropyl) 2-methylprop-2-enoate
SYSTEMATIC NAME: (3-ethoxy-3-oxidanylidene-propyl) 2-methylprop-2-enoate
MOLECULAR FORMULA: C9H14O4
MOLECULAR WEIGHT: 186.20506
SMILES: CCOC(=O)CCOC(=O)C(=C)C
Structure:
CAS RN: 66896-65-9
CAS Name: 2-chloro-N-ethylbenzamide
OPENEYE Name: 2-chloro-N-ethyl-benzamide
IUPAC Name: 2-chloro-N-ethylbenzamide
SYSTEMATIC NAME: 2-chloranyl-N-ethyl-benzamide
MOLECULAR FORMULA: C9H10ClNO
MOLECULAR WEIGHT: 183.6348
SMILES: CCNC(=O)C1=CC=CC=C1Cl
Structure:
CAS RN: 5980-29-0
CAS Name: 3,4-dichloro-N-ethylbenzamide
OPENEYE Name: 3,4-dichloro-N-ethyl-benzamide
IUPAC Name: 3,4-dichloro-N-ethylbenzamide
SYSTEMATIC NAME: 3,4-bis(chloranyl)-N-ethyl-benzamide
MOLECULAR FORMULA: C9H9Cl2NO
MOLECULAR WEIGHT: 218.07986
SMILES: CCNC(=O)C1=CC(=C(C=C1)Cl)Cl
Structure:
CAS RN: 10264-16-1
CAS Name: N-butylbutanamide
OPENEYE Name: N-butylbutanamide
IUPAC Name: N-butylbutanamide
SYSTEMATIC NAME: N-butylbutanamide
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CCCCNC(=O)CCC
Structure:
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