CAS RN: 66338-51-0
CAS Name: methanesulfonic acid (4-acetyl-2-methoxyphenyl) ester
OPENEYE Name: (4-acetyl-2-methoxy-phenyl) methanesulfonate
IUPAC Name: (4-acetyl-2-methoxyphenyl) methanesulfonate
SYSTEMATIC NAME: (4-ethanoyl-2-methoxy-phenyl) methanesulfonate
MOLECULAR FORMULA: C10H12O5S
MOLECULAR WEIGHT: 244.26428
SMILES: CC(=O)C1=CC(=C(C=C1)OS(=O)(=O)C)OC
Structure:
CAS RN: 20716-41-0
CAS Name: 1-(4-hydroxy-3-methoxy-5-nitrophenyl)ethanone
OPENEYE Name: 1-(4-hydroxy-3-methoxy-5-nitro-phenyl)ethanone
IUPAC Name: 1-(4-hydroxy-3-methoxy-5-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-(3-methoxy-5-nitro-4-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C9H9NO5
MOLECULAR WEIGHT: 211.17146
SMILES: CC(=O)C1=CC(=C(C(=C1)OC)O)[N+](=O)[O-]
Structure:
CAS RN: 27472-43-1
CAS Name: 2-oxo-2-(1H-pyrrol-2-yl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-oxo-2-(1H-pyrrol-2-yl)acetate
IUPAC Name: ethyl 2-oxo-2-(1H-pyrrol-2-yl)acetate
SYSTEMATIC NAME: ethyl 2-oxidanylidene-2-(1H-pyrrol-2-yl)ethanoate
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: CCOC(=O)C(=O)C1=CC=CN1
Structure:
CAS RN: 58200-06-9
CAS Name: N-[3-(ethoxycarbonylamino)-5-nitrophenyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[3-(ethoxycarbonylamino)-5-nitro-phenyl]carbamate
IUPAC Name: ethyl N-[3-(ethoxycarbonylamino)-5-nitrophenyl]carbamate
SYSTEMATIC NAME: ethyl N-[3-(ethoxycarbonylamino)-5-nitro-phenyl]carbamate
MOLECULAR FORMULA: C12H15N3O6
MOLECULAR WEIGHT: 297.264
SMILES: CCOC(=O)NC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)OCC
Structure:
CAS RN: 72254-56-9
CAS Name: 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid methyl ester
OPENEYE Name: methyl 2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate
IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
SYSTEMATIC NAME: methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
MOLECULAR FORMULA: C28H32N4O5
MOLECULAR WEIGHT: 504.57748
SMILES: CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC
Structure:
CAS RN: 31366-38-8
CAS Name: 4-aminobenzoic acid (4-nitrophenyl) ester
OPENEYE Name: (4-nitrophenyl) 4-aminobenzoate
IUPAC Name: (4-nitrophenyl) 4-aminobenzoate
SYSTEMATIC NAME: (4-nitrophenyl) 4-azanylbenzoate
MOLECULAR FORMULA: C13H10N2O4
MOLECULAR WEIGHT: 258.2295
SMILES: C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N
Structure:
CAS RN: 55268-64-9
CAS Name: 1-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)decyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
OPENEYE Name: 1-(10-decalin-1-yldecyl)decalin
IUPAC Name: 1-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)decyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SYSTEMATIC NAME: 1-[10-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)decyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
MOLECULAR FORMULA: C30H54
MOLECULAR WEIGHT: 414.74976
SMILES: C1CCC2C(C1)CCCC2CCCCCCCCCCC3CCCC4C3CCCC4
Structure:
CAS RN: 55401-72-4
CAS Name: [6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]cyclohexane
OPENEYE Name: [6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]cyclohexane
IUPAC Name: [6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]cyclohexane
SYSTEMATIC NAME: [6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]cyclohexane
MOLECULAR FORMULA: C25H46
MOLECULAR WEIGHT: 346.63274
SMILES: C1CCC(CC1)CCC(CCCC2CCCC2)CCCC3CCCC3
Structure:
CAS RN: 55401-70-2
CAS Name: [3-(2-cyclohexylethyl)-6-cyclopentylhexyl]cyclohexane
OPENEYE Name: [3-(2-cyclohexylethyl)-6-cyclopentyl-hexyl]cyclohexane
IUPAC Name: [3-(2-cyclohexylethyl)-6-cyclopentylhexyl]cyclohexane
SYSTEMATIC NAME: [3-(2-cyclohexylethyl)-6-cyclopentyl-hexyl]cyclohexane
MOLECULAR FORMULA: C25H46
MOLECULAR WEIGHT: 346.63274
SMILES: C1CCC(CC1)CCC(CCCC2CCCC2)CCC3CCCCC3
Structure:
CAS RN: 55401-75-7
CAS Name: 9-dodecyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
OPENEYE Name: 9-dodecyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
IUPAC Name: 9-dodecyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
SYSTEMATIC NAME: 9-dodecyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
MOLECULAR FORMULA: C26H48
MOLECULAR WEIGHT: 360.65932
SMILES: CCCCCCCCCCCCC1C2CCCCC2CC3C1CCCC3
Structure:
CAS RN: 56247-76-8
CAS Name: 1-[1-(1-naphthalenyl)undec-1-enyl]naphthalene
OPENEYE Name: 1-[1-(1-naphthyl)undec-1-enyl]naphthalene
IUPAC Name: 1-(1-naphthalen-1-ylundec-1-enyl)naphthalene
SYSTEMATIC NAME: 1-(1-naphthalen-1-ylundec-1-enyl)naphthalene
MOLECULAR FORMULA: C31H34
MOLECULAR WEIGHT: 406.60166
SMILES: CCCCCCCCCC=C(C1=CC=CC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43
Structure:
CAS RN: 55334-57-1
CAS Name: [5-phenyl-3-(2-phenylethyl)pent-2-enyl]benzene
OPENEYE Name: [5-phenyl-3-(2-phenylethyl)pent-2-enyl]benzene
IUPAC Name: [5-phenyl-3-(2-phenylethyl)pent-2-enyl]benzene
SYSTEMATIC NAME: [5-phenyl-3-(2-phenylethyl)pent-2-enyl]benzene
MOLECULAR FORMULA: C25H26
MOLECULAR WEIGHT: 326.47394
SMILES: C1=CC=C(C=C1)CCC(=CCC2=CC=CC=C2)CCC3=CC=CC=C3
Structure:
CAS RN: 66359-81-7
CAS Name: 2-hexadecyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
OPENEYE Name: 2-hexadecyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
IUPAC Name: 2-hexadecyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SYSTEMATIC NAME: 2-hexadecyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
MOLECULAR FORMULA: C25H48
MOLECULAR WEIGHT: 348.64862
SMILES: CCCCCCCCCCCCCCCCC1CC2CCCCC2C1
Structure:
CAS RN: 66374-92-3
CAS Name: [5-cyclohexyl-3-(2-cyclohexylethyl)pent-2-enyl]cyclohexane
OPENEYE Name: [5-cyclohexyl-3-(2-cyclohexylethyl)pent-2-enyl]cyclohexane
IUPAC Name: [5-cyclohexyl-3-(2-cyclohexylethyl)pent-2-enyl]cyclohexane
SYSTEMATIC NAME: [5-cyclohexyl-3-(2-cyclohexylethyl)pent-2-enyl]cyclohexane
MOLECULAR FORMULA: C25H44
MOLECULAR WEIGHT: 344.61686
SMILES: C1CCC(CC1)CCC(=CCC2CCCCC2)CCC3CCCCC3
Structure:
CAS RN: 55429-35-1
CAS Name: [7-cyclopentyl-4-(3-cyclopentylpropyl)heptyl]cyclopentane
OPENEYE Name: [7-cyclopentyl-4-(3-cyclopentylpropyl)heptyl]cyclopentane
IUPAC Name: [7-cyclopentyl-4-(3-cyclopentylpropyl)heptyl]cyclopentane
SYSTEMATIC NAME: [7-cyclopentyl-4-(3-cyclopentylpropyl)heptyl]cyclopentane
MOLECULAR FORMULA: C25H46
MOLECULAR WEIGHT: 346.63274
SMILES: C1CCC(C1)CCCC(CCCC2CCCC2)CCCC3CCCC3
Structure:
CAS RN: 61574-56-9
CAS Name: 5-amino-2-[[3-[10-(2-hexylcyclopropyl)-2-hydroxy-1-oxodecoxy]-1-oxohexadecyl]amino]pentanoic acid
OPENEYE Name: 5-amino-2-[3-[10-(2-hexylcyclopropyl)-2-hydroxy-decanoyl]oxyhexadecanoylamino]pentanoic acid
IUPAC Name: 5-amino-2-[3-[10-(2-hexylcyclopropyl)-2-hydroxydecanoyl]oxyhexadecanoylamino]pentanoic acid
SYSTEMATIC NAME: 5-azanyl-2-[3-[10-(2-hexylcyclopropyl)-2-oxidanyl-decanoyl]oxyhexadecanoylamino]pentanoic acid
MOLECULAR FORMULA: C40H76N2O6
MOLECULAR WEIGHT: 681.04124
SMILES: CCCCCCCCCCCCCC(CC(=O)NC(CCCN)C(=O)O)OC(=O)C(CCCCCCCCC1CC1CCCCCC)O
Structure:
CAS RN: 62409-18-1
CAS Name: N-hydroxy-3-oxo-5-isoxazolecarboxamide
OPENEYE Name: 3-oxoisoxazole-5-carbohydroxamic acid
IUPAC Name: N-hydroxy-3-oxo-1,2-oxazole-5-carboxamide
SYSTEMATIC NAME: N-oxidanyl-3-oxidanylidene-1,2-oxazole-5-carboxamide
MOLECULAR FORMULA: C4H4N2O4
MOLECULAR WEIGHT: 144.08556
SMILES: C1=C(ONC1=O)C(=O)NO
Structure:
CAS RN: 50604-21-2
CAS Name: 2-(dimethylarsinoseleno)-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-dimethylarsanylselanyl-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-dimethylarsanylselanyl-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-dimethylarsanylselanyl-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C8H17AsO5Se
MOLECULAR WEIGHT: 347.09918
SMILES: C[As](C)[Se]C1C(C(C(C(O1)CO)O)O)O
Structure:
CAS RN: 50604-20-1
CAS Name: 2-(dimethylarsinothio)-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-dimethylarsanylsulfanyl-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-dimethylarsanylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-dimethylarsanylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C8H17AsO5S
MOLECULAR WEIGHT: 300.20418
SMILES: C[As](C)SC1C(C(C(C(O1)CO)O)O)O
Structure:
CAS RN: 66981-38-2
CAS Name: 2-(dimethylarsinothio)-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-dimethylarsanylsulfanyl-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-dimethylarsanylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-dimethylarsanylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C8H17AsO5S
MOLECULAR WEIGHT: 300.20418
SMILES: C[As](C)SC1C(C(C(C(O1)CO)O)O)O
Structure:
CAS RN: 50604-19-8
CAS Name: acetic acid [3,4,5-triacetyloxy-6-(dimethylarsinoseleno)-2-oxanyl]methyl ester
OPENEYE Name: (3,4,5-triacetoxy-6-dimethylarsanylselanyl-tetrahydropyran-2-yl)methyl acetate
IUPAC Name: (3,4,5-triacetyloxy-6-dimethylarsanylselanyloxan-2-yl)methyl acetate
SYSTEMATIC NAME: (3,4,5-triacetyloxy-6-dimethylarsanylselanyl-oxan-2-yl)methyl ethanoate
MOLECULAR FORMULA: C16H25AsO9Se
MOLECULAR WEIGHT: 515.2459
SMILES: CC(=O)OCC1C(C(C(C(O1)[Se][As](C)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 51678-00-3
CAS Name: [[2-(dimethylarsinothio)-4-pyrimidinyl]thio]-dimethylarsine
OPENEYE Name: (2-dimethylarsanylsulfanylpyrimidin-4-yl)sulfanyl-dimethyl-arsane
IUPAC Name: (2-dimethylarsanylsulfanylpyrimidin-4-yl)sulfanyl-dimethylarsane
SYSTEMATIC NAME: (2-dimethylarsanylsulfanylpyrimidin-4-yl)sulfanyl-dimethyl-arsane
MOLECULAR FORMULA: C8H14As2N2S2
MOLECULAR WEIGHT: 352.18336
SMILES: C[As](C)SC1=NC(=NC=C1)S[As](C)C
Structure:
CAS RN: 37781-57-0
CAS Name: 2-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-2,3-dihydrofuran-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate
IUPAC Name: ethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate
SYSTEMATIC NAME: ethyl 2-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,3-dihydrofuran-5-carboxylate
MOLECULAR FORMULA: C11H11FN2O5
MOLECULAR WEIGHT: 270.213843
SMILES: CCOC(=O)C1=CCC(O1)N2C=C(C(=O)NC2=O)F
Structure:
CAS RN: 41230-62-0
CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-3-methyl-5-isoxazolamine
OPENEYE Name: 4-(2,5-dimethylpyrrol-1-yl)-3-methyl-isoxazol-5-amine
IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2-oxazol-5-amine
SYSTEMATIC NAME: 4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2-oxazol-5-amine
MOLECULAR FORMULA: C10H13N3O
MOLECULAR WEIGHT: 191.22972
SMILES: CC1=CC=C(N1C2=C(ON=C2C)N)C
Structure:
CAS RN: 41230-61-9
CAS Name: 3,5,7-trimethyl-6H-isoxazolo[4,5-b][1,4]diazepine
OPENEYE Name: 3,5,7-trimethyl-6H-isoxazolo[4,5-b][1,4]diazepine
IUPAC Name: 3,5,7-trimethyl-6H-[1,2]oxazolo[4,5-b][1,4]diazepine
SYSTEMATIC NAME: 3,5,7-trimethyl-6H-[1,2]oxazolo[4,5-b][1,4]diazepine
MOLECULAR FORMULA: C9H11N3O
MOLECULAR WEIGHT: 177.20314
SMILES: CC1=NC2=C(N=C(C1)C)ON=C2C
Structure:
CAS RN: 60084-64-2
CAS Name: 2-amino-3-[(12-methyl-7-benzo[a]anthracenyl)methylthio]propanoic acid
OPENEYE Name: 2-amino-3-[(12-methylbenzo[a]anthracen-7-yl)methylsulfanyl]propanoic acid
IUPAC Name: 2-amino-3-[(12-methylbenzo[a]anthracen-7-yl)methylsulfanyl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[(12-methylbenzo[a]anthracen-7-yl)methylsulfanyl]propanoic acid
MOLECULAR FORMULA: C23H21NO2S
MOLECULAR WEIGHT: 375.48334
SMILES: CC1=C2C(=C(C3=CC=CC=C13)CSCC(C(=O)O)N)C=CC4=CC=CC=C42
Structure:
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